2-[(1-butyl-2-oxidanylidene-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methyl-pentanamide

Systemtic Name: 2-[(1-butyl-2-oxidanylidene-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methyl-pentanamide Openeye Name: 2-[(1-butyl-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methyl-pentanamide CAS Name: 2-[(1-butyl-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methylpentanamide IUPAC Name: 2-[(1-butyl-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methylpentanamide Traditional Name: 2-[(1-butyl-2-keto-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methyl-valeramide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CC[N+]1=O)C=C(C=C2)CNC(CC(C)C)C(=O)N

Isomeric SMILES

CCCCC1C2=C(CC[N+]1=O)C=C(C=C2)CNC(CC(C)C)C(=O)N

InChI

InChI=1S/C20H31N3O2/c1-4-5-6-19-17-8-7-15(12-16(17)9-10-23(19)25)13-22-18(20(21)24)11-14(2)3/h7-8,12,14,18-19,22H,4-6,9-11,13H2,1-3H3,(H-,21,24)/p+1