N-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-oxidanyl-5-oxidanylidene-1-prop-2-enyl-pyrrolidin-1-ium-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-oxidanyl-5-oxidanylidene-1-prop-2-enyl-pyrrolidin-1-ium-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide Openeye Name: N-[1-allyl-3-(2-amino-2-oxo-ethyl)-1-hydroxy-5-oxo-pyrrolidin-1-ium-3-yl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide CAS Name: N-[3-(2-amino-2-oxoethyl)-1-hydroxy-5-oxo-1-prop-2-enyl-3-pyrrolidin-1-iumyl]-4-[(2-methyl-4-quinolinyl)methoxy]benzamide IUPAC Name: N-[3-(2-amino-2-oxoethyl)-1-hydroxy-5-oxo-1-prop-2-enylpyrrolidin-1-ium-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide Traditional Name: N-[1-allyl-3-(2-amino-2-keto-ethyl)-1-hydroxy-5-keto-pyrrolidin-1-ium-3-yl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide Formula: C27H29N4O5+ MolecularWeight: 489.54296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)NC4(CC(=O)[N+](C4)(CC=C)O)CC(=O)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)NC4(CC(=O)[N+](C4)(CC=C)O)CC(=O)N

InChI

InChI=1S/C27H28N4O5/c1-3-12-31(35)17-27(14-24(28)32,15-25(31)33)30-26(34)19-8-10-21(11-9-19)36-16-20-13-18(2)29-23-7-5-4-6-22(20)23/h3-11,13,35H,1,12,14-17H2,2H3,(H2-,28,30,32,34)/p+1