4-(3,5-dimethylphenyl)-N-(1-oxidanidylquinolin-1-ium-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(3,5-dimethylphenyl)-N-(1-oxidanidylquinolin-1-ium-3-yl)piperazine-1-carboxamide Openeye Name: 4-(3,5-dimethylphenyl)-N-(1-oxidoquinolin-1-ium-3-yl)piperazine-1-carboxamide CAS Name: 4-(3,5-dimethylphenyl)-N-(1-oxido-3-quinolin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: 4-(3,5-dimethylphenyl)-N-(1-oxidoquinolin-1-ium-3-yl)piperazine-1-carboxamide Traditional Name: 4-(3,5-dimethylphenyl)-N-(1-oxidoquinolin-1-ium-3-yl)piperazine-1-carboxamide Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=CC4=CC=CC=C4[N+](=C3)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=CC4=CC=CC=C4[N+](=C3)[O-])C

InChI

InChI=1S/C22H24N4O2/c1-16-11-17(2)13-20(12-16)24-7-9-25(10-8-24)22(27)23-19-14-18-5-3-4-6-21(18)26(28)15-19/h3-6,11-15H,7-10H2,1-2H3,(H,23,27)