4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]methyl-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylic acid Formula: C21H32N4O2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)O

Isomeric SMILES

CN(CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H32N4O2/c1-24(18-6-4-17(5-7-18)21(26)27)14-15-10-12-25(13-11-15)19-8-2-16(3-9-19)20(22)23/h2-3,8-9,15,17-18H,4-7,10-14H2,1H3,(H3,22,23)(H,26,27)