2-[3-(3-azanyl-5-oxidanyl-phenyl)-6-(methylamino)piperidin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3-azanyl-5-oxidanyl-phenyl)-6-(methylamino)piperidin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-amino-5-hydroxy-phenyl)-6-(methylamino)-2-piperidyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-amino-5-hydroxyphenyl)-6-(methylamino)-2-piperidinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-amino-5-hydroxyphenyl)-6-(methylamino)piperidin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-amino-5-hydroxy-phenyl)-6-(methylamino)-2-piperidyl]acetamide Formula: C22H30N6O2 MolecularWeight: 410.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC(C(N1)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)O)N

Isomeric SMILES

CNC1CCC(C(N1)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)O)N

InChI

InChI=1S/C22H30N6O2/c1-26-20-7-6-18(15-8-16(23)10-17(29)9-15)19(28-20)11-21(30)27-12-13-2-4-14(5-3-13)22(24)25/h2-5,8-10,18-20,26,28-29H,6-7,11-12,23H2,1H3,(H3,24,25)(H,27,30)