cyclopentylmethyl 4-[[1-(4-carbamimidoylphenyl)-4-(phenylmethyl)piperazin-1-ium-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: cyclopentylmethyl 4-[[1-(4-carbamimidoylphenyl)-4-(phenylmethyl)piperazin-1-ium-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: cyclopentylmethyl 4-[[4-benzyl-1-(4-carbamimidoylphenyl)piperazin-1-ium-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-(phenylmethyl)-1-piperazin-1-iumyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid cyclopentylmethyl ester IUPAC Name: cyclopentylmethyl 4-[[4-benzyl-1-(4-carbamimidoylphenyl)piperazin-1-ium-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)-4-benzyl-piperazin-1-ium-1-carbonyl]amino]cyclohexanecarboxylic acid cyclopentylmethyl ester Formula: C32H44N5O3+ MolecularWeight: 546.72346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC(=O)C2CCC(CC2)NC(=O)[N+]3(CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CCC(C1)COC(=O)C2CCC(CC2)NC(=O)[N+]3(CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C32H43N5O3/c33-30(34)26-12-16-29(17-13-26)37(20-18-36(19-21-37)22-24-6-2-1-3-7-24)32(39)35-28-14-10-27(11-15-28)31(38)40-23-25-8-4-5-9-25/h1-3,6-7,12-13,16-17,25,27-28H,4-5,8-11,14-15,18-23H2,(H3-,33,34,35,39)/p+1