2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-[4-(dimethylamino)-4-oxidanylidene-butanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-[4-(dimethylamino)-4-oxidanylidene-butanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl-[4-(dimethylamino)-4-oxo-butanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(dimethylamino)-1,4-dioxobutyl]-[[2-(dimethylamino)-8-methyl-3-quinolin-1-iumyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-8-methylquinolin-1-ium-3-yl]methyl-[4-(dimethylamino)-4-oxobutanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(dimethylamino)-4-keto-butanoyl]-[[2-(dimethylamino)-8-methyl-quinolin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-ammonium Formula: C23H37N5O2+2 MolecularWeight: 415.57218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C([NH+]=C12)N(C)C)CN(CC[NH+](C)C)C(=O)CCC(=O)N(C)C

Isomeric SMILES

CC1=CC=CC2=CC(=C([NH+]=C12)N(C)C)CN(CC[NH+](C)C)C(=O)CCC(=O)N(C)C

InChI

InChI=1S/C23H35N5O2/c1-17-9-8-10-18-15-19(23(27(6)7)24-22(17)18)16-28(14-13-25(2)3)21(30)12-11-20(29)26(4)5/h8-10,15H,11-14,16H2,1-7H3/p+2