3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzonitrile CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzonitrile Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzonitrile Formula: C25H24N3O+ MolecularWeight: 382.47756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H23N3O/c26-19-20-8-7-13-23(18-20)25(29)28-16-14-27(15-17-28)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,24H,14-17H2/p+1