(6-butyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-dipropyl-azanium

Systemtic Name: (6-butyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-dipropyl-azanium Openeye Name: (6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropyl-ammonium CAS Name: (6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylammonium IUPAC Name: (6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium Traditional Name: (6-butyl-4-keto-2-methyl-1H-quinolin-3-yl)methyl-dipropyl-ammonium Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CCC)CCC)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CCC)CCC)C

InChI

InChI=1S/C21H32N2O/c1-5-8-9-17-10-11-20-18(14-17)21(24)19(16(4)22-20)15-23(12-6-2)13-7-3/h10-11,14H,5-9,12-13,15H2,1-4H3,(H,22,24)/p+1