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

Systemtic Name: 2-[[1-(cyclobutylmethyl)-2-oxidanylidene-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-pentanamide Openeye Name: 2-[[1-(cyclobutylmethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-pentanamide CAS Name: 2-[[1-(cyclobutylmethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methylpentanamide IUPAC Name: 2-[[1-(cyclobutylmethyl)-2-oxo-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methylpentanamide Traditional Name: 2-[[1-(cyclobutylmethyl)-2-keto-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]methylamino]-4-methyl-valeramide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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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)CC3CCC3

Isomeric SMILES

CC(C)CC(C(=O)N)NCC1=CC2=C(C=C1)C([N+](=O)CC2)CC3CCC3

InChI

InChI=1S/C21H31N3O2/c1-14(2)10-19(21(22)25)23-13-16-6-7-18-17(11-16)8-9-24(26)20(18)12-15-4-3-5-15/h6-7,11,14-15,19-20,23H,3-5,8-10,12-13H2,1-2H3,(H-,22,25)/p+1