(2R)-2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: (2R)-2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: (2R)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: (2R)-2-(1-methylene-3-oxo-2-isoindolyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: (2R)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](C1)CC2=CC=CC=C2)N3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H](C(=O)N[C@H]1CC[NH+](C1)CC2=CC=CC=C2)N3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O2/c1-16-20-10-6-7-11-21(20)23(28)26(16)17(2)22(27)24-19-12-13-25(15-19)14-18-8-4-3-5-9-18/h3-11,17,19H,1,12-15H2,2H3,(H,24,27)/p+1/t17-,19+/m1/s1