4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methylamino]cyclohexane-1-carboxylic acid trihydrochloride

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methylamino]cyclohexane-1-carboxylic acid trihydrochloride Openeye Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]methylamino]cyclohexanecarboxylic acid trihydrochloride CAS Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]methylamino]-1-cyclohexanecarboxylic acid trihydrochloride IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methylamino]cyclohexane-1-carboxylic acid trihydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)-4-piperidyl]methylamino]cyclohexanecarboxylic acid trihydrochloride Formula: C20H33Cl3N4O2 MolecularWeight: 467.86062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NCC2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl.Cl

Isomeric SMILES

C1CC(CCC1C(=O)O)NCC2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl.Cl

InChI

InChI=1S/C20H30N4O2.3ClH/c21-19(22)15-3-7-18(8-4-15)24-11-9-14(10-12-24)13-23-17-5-1-16(2-6-17)20(25)26;;;/h3-4,7-8,14,16-17,23H,1-2,5-6,9-13H2,(H3,21,22)(H,25,26);3*1H