cyclohexyl 2-[1-[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylpiperidin-4-yl]ethanoate dihydrochloride

Systemtic Name: cyclohexyl 2-[1-[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylpiperidin-4-yl]ethanoate dihydrochloride Openeye Name: cyclohexyl 2-[1-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-4-piperidyl]acetate dihydrochloride CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-4-piperidinyl]acetic acid cyclohexyl ester dihydrochloride IUPAC Name: cyclohexyl 2-[1-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]piperidin-4-yl]acetate dihydrochloride Traditional Name: 2-[1-[4-(4-amidinophenyl)piperazine-1-carbonyl]-4-piperidyl]acetic acid cyclohexyl ester dihydrochloride Formula: C25H39Cl2N5O3 MolecularWeight: 528.51486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2CCN(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2CCN(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C25H37N5O3.2ClH/c26-24(27)20-6-8-21(9-7-20)28-14-16-30(17-15-28)25(32)29-12-10-19(11-13-29)18-23(31)33-22-4-2-1-3-5-22;;/h6-9,19,22H,1-5,10-18H2,(H3,26,27);2*1H