propan-2-yl 4-[[4-(4-carbamimidoylphenyl)-1-methyl-piperidin-1-ium-1-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: propan-2-yl 4-[[4-(4-carbamimidoylphenyl)-1-methyl-piperidin-1-ium-1-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: isopropyl 4-[[4-(4-carbamimidoylphenyl)-1-methyl-piperidin-1-ium-1-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-methyl-1-piperidin-1-iumyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 4-[[4-(4-carbamimidoylphenyl)-1-methylpiperidin-1-ium-1-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[4-(4-amidinophenyl)-1-methyl-piperidin-1-ium-1-carbonyl]amino]cyclohexanecarboxylic acid isopropyl ester hydrochloride Formula: C24H38ClN4O3+ MolecularWeight: 466.03652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCC(CC1)NC(=O)[N+]2(CCC(CC2)C3=CC=C(C=C3)C(=N)N)C.Cl

Isomeric SMILES

CC(C)OC(=O)C1CCC(CC1)NC(=O)[N+]2(CCC(CC2)C3=CC=C(C=C3)C(=N)N)C.Cl

InChI

InChI=1S/C24H36N4O3.ClH/c1-16(2)31-23(29)20-8-10-21(11-9-20)27-24(30)28(3)14-12-18(13-15-28)17-4-6-19(7-5-17)22(25)26;/h4-7,16,18,20-21H,8-15H2,1-3H3,(H3-,25,26,27,30);1H/p+1