8-(4,4-dimethylpiperazin-4-ium-1-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxidanylidene-1H-quinoline-2-carboxamide

Systemtic Name: 8-(4,4-dimethylpiperazin-4-ium-1-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxidanylidene-1H-quinoline-2-carboxamide Openeye Name: 8-(4,4-dimethylpiperazin-4-ium-1-yl)-5-methyl-N-(4-morpholinophenyl)-4-oxo-1H-quinoline-2-carboxamide CAS Name: 8-(4,4-dimethyl-1-piperazin-4-iumyl)-5-methyl-N-[4-(4-morpholinyl)phenyl]-4-oxo-1H-quinoline-2-carboxamide IUPAC Name: 8-(4,4-dimethylpiperazin-4-ium-1-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-1H-quinoline-2-carboxamide Traditional Name: 8-(4,4-dimethylpiperazin-4-ium-1-yl)-4-keto-5-methyl-N-(4-morpholinophenyl)-1H-quinoline-2-carboxamide Formula: C27H34N5O3+ MolecularWeight: 476.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C=C(NC2=C(C=C1)N3CC[N+](CC3)(C)C)C(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=C2C(=O)C=C(NC2=C(C=C1)N3CC[N+](CC3)(C)C)C(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H33N5O3/c1-19-4-9-23(31-10-14-32(2,3)15-11-31)26-25(19)24(33)18-22(29-26)27(34)28-20-5-7-21(8-6-20)30-12-16-35-17-13-30/h4-9,18H,10-17H2,1-3H3,(H-,28,29,33,34)/p+1