2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2-methylbenzoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(2-methylbenzoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-o-toluoylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C18H19N4O+ MolecularWeight: 307.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C18H18N4O/c1-14-5-2-3-7-16(14)18(23)22-11-9-21(10-12-22)17-15(13-19)6-4-8-20-17/h2-8H,9-12H2,1H3/p+1