[4-[3-ethoxy-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]-3-oxidanylidene-propyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[3-ethoxy-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]-3-oxidanylidene-propyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [4-[3-ethoxy-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]-3-oxo-propyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[3-ethoxy-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-ethoxy-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]-3-oxopropyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[3-ethoxy-3-keto-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propyl]phenyl] ester Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C(C)(C)C)NC(=O)C2=C[N+](=CC=C2)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C(C)(C)C)NC(=O)C2=C[N+](=CC=C2)C

InChI

InChI=1S/C23H28N2O5/c1-6-29-21(27)19(24-20(26)17-8-7-13-25(5)15-17)14-16-9-11-18(12-10-16)30-22(28)23(2,3)4/h7-13,15,19H,6,14H2,1-5H3/p+1