N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanamide dihydrochloride

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanamide dihydrochloride Openeye Name: 2-(4-benzyl-1-piperidyl)-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-(1-naphthylmethyl)acetamide dihydrochloride CAS Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-N-(1-naphthalenylmethyl)-2-[4-(phenylmethyl)-1-piperidinyl]acetamide dihydrochloride IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)acetamide dihydrochloride Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-(4-benzylpiperidino)-N-(1-naphthylmethyl)acetamide dihydrochloride Formula: C42H46Cl2N6O MolecularWeight: 721.76024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC3=CC=CC4=CC=CC=C43)C(=O)CN5CCC(CC5)CC6=CC=CC=C6)N=C1CCC7=CC=C(C=C7)C(=N)N.Cl.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC3=CC=CC4=CC=CC=C43)C(=O)CN5CCC(CC5)CC6=CC=CC=C6)N=C1CCC7=CC=C(C=C7)C(=N)N.Cl.Cl

InChI

InChI=1S/C42H44N6O.2ClH/c1-46-39-20-19-36(27-38(39)45-40(46)21-16-30-14-17-34(18-15-30)42(43)44)48(28-35-12-7-11-33-10-5-6-13-37(33)35)41(49)29-47-24-22-32(23-25-47)26-31-8-3-2-4-9-31;;/h2-15,17-20,27,32H,16,21-26,28-29H2,1H3,(H3,43,44);2*1H