methyl 1-[2-(2-butoxy-2-oxidanylidene-ethyl)-6-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-1-ium-1-carboxylate

Systemtic Name: methyl 1-[2-(2-butoxy-2-oxidanylidene-ethyl)-6-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-1-ium-1-carboxylate Openeye Name: methyl 1-[2-(2-butoxy-2-oxo-ethyl)-6-(4-carbamimidoylphenyl)benzoyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[[2-(2-butoxy-2-oxoethyl)-6-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-1-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-butoxy-2-oxoethyl)-6-(4-carbamimidoylphenyl)benzoyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[2-(4-amidinophenyl)-6-(2-butoxy-2-keto-ethyl)benzoyl]piperidin-1-ium-1-carboxylic acid methyl ester Formula: C27H34N3O5+ MolecularWeight: 480.57596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=CC=CC(=C1C(=O)[N+]2(CCCCC2)C(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCOC(=O)CC1=CC=CC(=C1C(=O)[N+]2(CCCCC2)C(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H34N3O5/c1-3-4-17-35-23(31)18-21-9-8-10-22(19-11-13-20(14-12-19)25(28)29)24(21)26(32)30(27(33)34-2)15-6-5-7-16-30/h8-14H,3-7,15-18H2,1-2H3,(H3,28,29)/q+1