N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-2-oxidanyl-N-(4-piperidin-4-yloxyphenyl)ethanamide dihydrochloride

Systemtic Name: N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-2-oxidanyl-N-(4-piperidin-4-yloxyphenyl)ethanamide dihydrochloride Openeye Name: N-[(E)-3-(3-carbamimidoylphenyl)allyl]-2-hydroxy-N-[4-(4-piperidyloxy)phenyl]acetamide dihydrochloride CAS Name: N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-2-hydroxy-N-[4-(4-piperidinyloxy)phenyl]acetamide dihydrochloride IUPAC Name: N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-2-hydroxy-N-(4-piperidin-4-yloxyphenyl)acetamide dihydrochloride Traditional Name: N-[(E)-3-(3-amidinophenyl)allyl]-2-hydroxy-N-[4-(4-piperidyloxy)phenyl]acetamide dihydrochloride Formula: C23H30Cl2N4O3 MolecularWeight: 481.4153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)N(CC=CC3=CC(=CC=C3)C(=N)N)C(=O)CO.Cl.Cl

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)N(C/C=C/C3=CC(=CC=C3)C(=N)N)C(=O)CO.Cl.Cl

InChI

InChI=1S/C23H28N4O3.2ClH/c24-23(25)18-5-1-3-17(15-18)4-2-14-27(22(29)16-28)19-6-8-20(9-7-19)30-21-10-12-26-13-11-21;;/h1-9,15,21,26,28H,10-14,16H2,(H3,24,25);2*1H/b4-2+;;