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

Systemtic Name: 2-[[1-(2-methoxyethyl)-2-oxidanylidene-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-pentanamide Openeye Name: 2-[[1-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-pentanamide CAS Name: 2-[[1-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methylpentanamide IUPAC Name: 2-[[1-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methylpentanamide Traditional Name: 2-[[2-keto-1-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-valeramide Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NCC1=CC2=C(C=C1)C([N+](=O)CC2)CCOC

Isomeric SMILES

CC(C)CC(C(=O)N)NCC1=CC2=C(C=C1)C([N+](=O)CC2)CCOC

InChI

InChI=1S/C19H29N3O3/c1-13(2)10-17(19(20)23)21-12-14-4-5-16-15(11-14)6-8-22(24)18(16)7-9-25-3/h4-5,11,13,17-18,21H,6-10,12H2,1-3H3,(H-,20,23)/p+1