(6-tert-butyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)azanium

Systemtic Name: (6-tert-butyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(6-tert-butyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: (6-tert-butyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-tert-butyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: benzyl-[(6-tert-butyl-2-keto-1H-quinolin-3-yl)methyl]ammonium Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=O)C(=C2)C[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=O)C(=C2)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O/c1-21(2,3)18-9-10-19-16(12-18)11-17(20(24)23-19)14-22-13-15-7-5-4-6-8-15/h4-12,22H,13-14H2,1-3H3,(H,23,24)/p+1