butyl 4-[[4-(4-carbamimidoylphenyl)-1-(phenylmethyl)piperidin-1-ium-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: butyl 4-[[4-(4-carbamimidoylphenyl)-1-(phenylmethyl)piperidin-1-ium-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: butyl 4-[[1-benzyl-4-(4-carbamimidoylphenyl)piperidin-1-ium-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-(phenylmethyl)-1-piperidin-1-iumyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 4-[[1-benzyl-4-(4-carbamimidoylphenyl)piperidin-1-ium-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)-1-benzyl-piperidin-1-ium-1-carbonyl]amino]cyclohexanecarboxylic acid butyl ester Formula: C31H43N4O3+ MolecularWeight: 519.69812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CCC(CC1)NC(=O)[N+]2(CCC(CC2)C3=CC=C(C=C3)C(=N)N)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1CCC(CC1)NC(=O)[N+]2(CCC(CC2)C3=CC=C(C=C3)C(=N)N)CC4=CC=CC=C4

InChI

InChI=1S/C31H42N4O3/c1-2-3-21-38-30(36)27-13-15-28(16-14-27)34-31(37)35(22-23-7-5-4-6-8-23)19-17-25(18-20-35)24-9-11-26(12-10-24)29(32)33/h4-12,25,27-28H,2-3,13-22H2,1H3,(H3-,32,33,34,37)/p+1