methyl 4-[2-(1-carbamimidoylpiperidin-1-ium-1-yl)carbonyl-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)phenyl]benzoate

Systemtic Name: methyl 4-[2-(1-carbamimidoylpiperidin-1-ium-1-yl)carbonyl-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)phenyl]benzoate Openeye Name: methyl 4-[2-(1-carbamimidoylpiperidin-1-ium-1-carbonyl)-4-[2-(cyclohexoxy)-2-oxo-ethyl]phenyl]benzoate CAS Name: 4-[2-[(1-carbamimidoyl-1-piperidin-1-iumyl)-oxomethyl]-4-(2-cyclohexyloxy-2-oxoethyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-carbamimidoylpiperidin-1-ium-1-carbonyl)-4-(2-cyclohexyloxy-2-oxoethyl)phenyl]benzoate Traditional Name: 4-[2-(1-amidinopiperidin-1-ium-1-carbonyl)-4-[2-(cyclohexoxy)-2-keto-ethyl]phenyl]benzoic acid methyl ester Formula: C29H36N3O5+ MolecularWeight: 506.61324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CC(=O)OC3CCCCC3)C(=O)[N+]4(CCCCC4)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CC(=O)OC3CCCCC3)C(=O)[N+]4(CCCCC4)C(=N)N

InChI

InChI=1S/C29H36N3O5/c1-36-28(35)22-13-11-21(12-14-22)24-15-10-20(19-26(33)37-23-8-4-2-5-9-23)18-25(24)27(34)32(29(30)31)16-6-3-7-17-32/h10-15,18,23H,2-9,16-17,19H2,1H3,(H3,30,31)/q+1