4-(3-cyano-6-methyl-quinolin-1-ium-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3-cyano-6-methyl-quinolin-1-ium-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-(3-cyano-6-methyl-quinolin-1-ium-2-yl)-N-(p-tolyl)piperazine-1-carboxamide CAS Name: 4-(3-cyano-6-methyl-2-quinolin-1-iumyl)-N-(4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-cyano-6-methylquinolin-1-ium-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-cyano-6-methyl-quinolin-1-ium-2-yl)-N-(p-tolyl)piperazine-1-carboxamide Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=[NH+]C4=C(C=C(C=C4)C)C=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=[NH+]C4=C(C=C(C=C4)C)C=C3C#N

InChI

InChI=1S/C23H23N5O/c1-16-3-6-20(7-4-16)25-23(29)28-11-9-27(10-12-28)22-19(15-24)14-18-13-17(2)5-8-21(18)26-22/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)/p+1