2,6-bis[4-(4-ethanoylphenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2,6-bis[4-(4-ethanoylphenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2,6-bis[4-(4-acetylphenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2,6-bis[4-(4-acetylphenyl)-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2,6-bis[4-(4-acetylphenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2,6-bis[4-(4-acetylphenyl)piperazino]pyridin-1-ium-3,5-dicarbonitrile Formula: C31H32N7O2+ MolecularWeight: 534.63148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C(=[NH+]3)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C)C#N)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C(=[NH+]3)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C)C#N)C#N

InChI

InChI=1S/C31H31N7O2/c1-22(39)24-3-7-28(8-4-24)35-11-15-37(16-12-35)30-26(20-32)19-27(21-33)31(34-30)38-17-13-36(14-18-38)29-9-5-25(6-10-29)23(2)40/h3-10,19H,11-18H2,1-2H3/p+1