2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C25H28N4+2 MolecularWeight: 384.51662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H26N4/c1-19-17-20(2)27-25(23(19)18-26)29-15-13-28(14-16-29)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17,24H,13-16H2,1-2H3/p+2