4-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H26N4O/c20-14-17-4-6-18(7-5-17)15-21-10-12-22(13-11-21)16-19(24)23-8-2-1-3-9-23/h4-7H,1-3,8-13,15-16H2/p+1