ethanoyl-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-methyl-(4-oxidanyl-4-oxidanylidene-3-piperidin-4-yl-butyl)azanium

Systemtic Name: ethanoyl-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-methyl-(4-oxidanyl-4-oxidanylidene-3-piperidin-4-yl-butyl)azanium Openeye Name: acetyl-[4-hydroxy-4-oxo-3-(4-piperidyl)butyl]-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-methyl-ammonium CAS Name: acetyl-[4-hydroxy-4-oxo-3-(4-piperidinyl)butyl]-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-methylammonium IUPAC Name: acetyl-(4-hydroxy-4-oxo-3-piperidin-4-ylbutyl)-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-methylazanium Traditional Name: acetyl-[4-hydroxy-4-keto-3-(4-piperidyl)butyl]-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-methyl-ammonium Formula: C27H37N4O5+ MolecularWeight: 497.60648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)[N+](C)(CCC(C3CCNCC3)C(=O)O)C(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)[N+](C)(CCC(C3CCNCC3)C(=O)O)C(=O)C)OC

InChI

InChI=1S/C27H36N4O5/c1-18-7-5-6-8-23(18)29-27(35)30-24-10-9-21(17-25(24)36-4)31(3,19(2)32)16-13-22(26(33)34)20-11-14-28-15-12-20/h5-10,17,20,22,28H,11-16H2,1-4H3,(H2-,29,30,33,34,35)/p+1