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

Systemtic Name: 4-methyl-2-[[2-oxidanylidene-1-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]pentanamide Openeye Name: 2-[(1-benzyl-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methyl-pentanamide CAS Name: 4-methyl-2-[[2-oxo-1-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]pentanamide IUPAC Name: 2-[(1-benzyl-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methylpentanamide Traditional Name: 2-[(1-benzyl-2-keto-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methyl-valeramide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)N)NCC1=CC2=C(C=C1)C([N+](=O)CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-16(2)12-21(23(24)27)25-15-18-8-9-20-19(13-18)10-11-26(28)22(20)14-17-6-4-3-5-7-17/h3-9,13,16,21-22,25H,10-12,14-15H2,1-2H3,(H-,24,27)/p+1