7-methoxy-2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]quinolin-1-ium-3-carbonitrile

Systemtic Name: 7-methoxy-2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]quinolin-1-ium-3-carbonitrile Openeye Name: 7-methoxy-2-[4-(2-methylbenzoyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile CAS Name: 7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolin-1-iumcarbonitrile IUPAC Name: 7-methoxy-2-[4-(2-methylbenzoyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile Traditional Name: 7-methoxy-2-(4-o-toluoylpiperazino)quinolin-1-ium-3-carbonitrile Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=[NH+]C4=C(C=CC(=C4)OC)C=C3C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=[NH+]C4=C(C=CC(=C4)OC)C=C3C#N

InChI

InChI=1S/C23H22N4O2/c1-16-5-3-4-6-20(16)23(28)27-11-9-26(10-12-27)22-18(15-24)13-17-7-8-19(29-2)14-21(17)25-22/h3-8,13-14H,9-12H2,1-2H3/p+1