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

Systemtic Name: 2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-m-anisoylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C18H19N4O2+ MolecularWeight: 323.36906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C18H18N4O2/c1-24-16-6-2-4-14(12-16)18(23)22-10-8-21(9-11-22)17-15(13-19)5-3-7-20-17/h2-7,12H,8-11H2,1H3/p+1