2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methoxy-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methoxy-pyridine-3-carbonitrile Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methoxy-pyridine-3-carbonitrile CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-methoxy-3-pyridinecarbonitrile IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methoxypyridine-3-carbonitrile Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methoxy-nicotinonitrile Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC1=C(C(=NC=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H24N4O/c1-29-22-12-13-26-24(21(22)18-25)28-16-14-27(15-17-28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,23H,14-17H2,1H3/p+1