methyl 1-[2-(4-carbamimidoylphenyl)-5-(2-oxidanylidene-2-propan-2-yloxy-ethyl)phenyl]carbonylpiperidin-1-ium-1-carboxylate

Systemtic Name: methyl 1-[2-(4-carbamimidoylphenyl)-5-(2-oxidanylidene-2-propan-2-yloxy-ethyl)phenyl]carbonylpiperidin-1-ium-1-carboxylate Openeye Name: methyl 1-[2-(4-carbamimidoylphenyl)-5-(2-isopropoxy-2-oxo-ethyl)benzoyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[[2-(4-carbamimidoylphenyl)-5-(2-oxo-2-propan-2-yloxyethyl)phenyl]-oxomethyl]-1-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-carbamimidoylphenyl)-5-(2-oxo-2-propan-2-yloxyethyl)benzoyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[2-(4-amidinophenyl)-5-(2-isopropoxy-2-keto-ethyl)benzoyl]piperidin-1-ium-1-carboxylic acid methyl ester Formula: C26H32N3O5+ MolecularWeight: 466.54938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=N)N)C(=O)[N+]3(CCCCC3)C(=O)OC

Isomeric SMILES

CC(C)OC(=O)CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=N)N)C(=O)[N+]3(CCCCC3)C(=O)OC

InChI

InChI=1S/C26H32N3O5/c1-17(2)34-23(30)16-18-7-12-21(19-8-10-20(11-9-19)24(27)28)22(15-18)25(31)29(26(32)33-3)13-5-4-6-14-29/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H3,27,28)/q+1