3-(4-methylphenyl)-N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-(4-methylphenyl)-N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propanamide CAS Name: 3-(4-methylphenyl)-N-[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(p-tolyl)propionamide Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=[N+](C=C4)[O-])C=C2

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=[N+](C=C4)[O-])C=C2

InChI

InChI=1S/C25H25N3O3/c1-18-2-4-19(5-3-18)6-9-24(29)26-23-8-7-20-10-13-27(17-22(20)16-23)25(30)21-11-14-28(31)15-12-21/h2-5,7-8,11-12,14-16H,6,9-10,13,17H2,1H3,(H,26,29)