5-azanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 5-amino-2-(4-benzylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 5-amino-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 5-amino-2-(4-benzylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 5-amino-2-(4-benzylpiperazin-4-ium-1-yl)benzonitrile Formula: C18H21N4+ MolecularWeight: 293.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4/c19-13-16-12-17(20)6-7-18(16)22-10-8-21(9-11-22)14-15-4-2-1-3-5-15/h1-7,12H,8-11,14,20H2/p+1