5,7-dimethyl-2-[4-(phenylcarbonyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile

Systemtic Name: 5,7-dimethyl-2-[4-(phenylcarbonyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzoylpiperazin-1-yl)-5,7-dimethyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-(4-benzoyl-1-piperazinyl)-5,7-dimethyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-5,7-dimethylquinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzoylpiperazino)-5,7-dimethyl-quinolin-1-ium-3-carbonitrile Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C23H22N4O/c1-16-12-17(2)20-14-19(15-24)22(25-21(20)13-16)26-8-10-27(11-9-26)23(28)18-6-4-3-5-7-18/h3-7,12-14H,8-11H2,1-2H3/p+1