4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]benzonitrile Formula: C19H22N3+ MolecularWeight: 292.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N3/c20-14-17-6-8-19(9-7-17)16-22-12-10-21(11-13-22)15-18-4-2-1-3-5-18/h1-9H,10-13,15-16H2/p+1