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

Systemtic Name: 2-[[1-(cyclopropylmethyl)-2-oxidanylidene-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-pentanamide Openeye Name: 2-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-pentanamide CAS Name: 2-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methylpentanamide IUPAC Name: 2-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methylpentanamide Traditional Name: 2-[[1-(cyclopropylmethyl)-2-keto-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-valeramide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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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)CC3CC3

Isomeric SMILES

CC(C)CC(C(=O)N)NCC1=CC2=C(C=C1)C([N+](=O)CC2)CC3CC3

InChI

InChI=1S/C20H29N3O2/c1-13(2)9-18(20(21)24)22-12-15-5-6-17-16(10-15)7-8-23(25)19(17)11-14-3-4-14/h5-6,10,13-14,18-19,22H,3-4,7-9,11-12H2,1-2H3,(H-,21,24)/p+1