7,8-dimethyl-2-[4-(phenylcarbonyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile

Systemtic Name: 7,8-dimethyl-2-[4-(phenylcarbonyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzoylpiperazin-1-yl)-7,8-dimethyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-(4-benzoyl-1-piperazinyl)-7,8-dimethyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-7,8-dimethylquinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzoylpiperazino)-7,8-dimethyl-quinolin-1-ium-3-carbonitrile Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N)C

InChI

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