2-(3,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-1-keto-isoquinoline-4-carboxamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H29N3O2/c1-4-27-13-7-8-20(27)15-26-24(29)23-16-28(19-12-11-17(2)18(3)14-19)25(30)22-10-6-5-9-21(22)23/h5-6,9-12,14,16,20H,4,7-8,13,15H2,1-3H3,(H,26,29)/p+1