5-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C28H30N4O2/c1-20-24(21(2)30-28(34)25(20)19-29)13-14-26(33)31-15-17-32(18-16-31)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,27H,13-18H2,1-2H3,(H,30,34)/p+1