methyl 4-[(E)-3-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-1-enyl]benzoic acid methyl ester Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)OC)C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCCC3

InChI

InChI=1S/C23H25NO4/c1-27-22-12-10-19(15-20(22)16-24-13-3-4-14-24)21(25)11-7-17-5-8-18(9-6-17)23(26)28-2/h5-12,15H,3-4,13-14,16H2,1-2H3/p+1/b11-7+