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

Systemtic Name: 4-methyl-2-[(1-methyl-2-oxidanylidene-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide Openeye Name: 4-methyl-2-[(1-methyl-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide CAS Name: 4-methyl-2-[(1-methyl-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide IUPAC Name: 4-methyl-2-[(1-methyl-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide Traditional Name: 2-[(2-keto-1-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methyl-valeramide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CC[N+]1=O)C=C(C=C2)CNC(CC(C)C)C(=O)N

Isomeric SMILES

CC1C2=C(CC[N+]1=O)C=C(C=C2)CNC(CC(C)C)C(=O)N

InChI

InChI=1S/C17H25N3O2/c1-11(2)8-16(17(18)21)19-10-13-4-5-15-12(3)20(22)7-6-14(15)9-13/h4-5,9,11-12,16,19H,6-8,10H2,1-3H3,(H-,18,21)/p+1