2-[4-ethyl-3-(2-methylpropyl)-2-oxidanylidene-1-(phenylmethyl)-3-prop-1-en-2-yl-pyrrolidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-ethyl-3-(2-methylpropyl)-2-oxidanylidene-1-(phenylmethyl)-3-prop-1-en-2-yl-pyrrolidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(1-benzyl-4-ethyl-3-isobutyl-3-isopropenyl-2-oxo-pyrrolidin-1-ium-1-yl)acetic acid CAS Name: 2-[4-ethyl-3-(1-methylethenyl)-3-(2-methylpropyl)-2-oxo-1-(phenylmethyl)-1-pyrrolidin-1-iumyl]acetic acid IUPAC Name: 2-[1-benzyl-4-ethyl-3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-ium-1-yl]acetic acid Traditional Name: 2-(1-benzyl-4-ethyl-3-isobutyl-3-isopropenyl-2-keto-pyrrolidin-1-ium-1-yl)acetic acid Formula: C22H32NO3+ MolecularWeight: 358.49438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+](C(=O)C1(CC(C)C)C(=C)C)(CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCC1C[N+](C(=O)C1(CC(C)C)C(=C)C)(CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C22H31NO3/c1-6-19-14-23(15-20(24)25,13-18-10-8-7-9-11-18)21(26)22(19,17(4)5)12-16(2)3/h7-11,16,19H,4,6,12-15H2,1-3,5H3/p+1