6-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-(4-chlorobenzoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[4-(4-chlorobenzoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[4-(4-chlorobenzoyl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C17H16ClN4O+ MolecularWeight: 327.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O/c18-15-4-2-14(3-5-15)17(23)22-9-7-21(8-10-22)16-6-1-13(11-19)12-20-16/h1-6,12H,7-10H2/p+1