(E)-3-azanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile

Systemtic Name: (E)-3-azanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile Openeye Name: (E)-3-amino-3-(4-benzylpiperazin-4-ium-1-yl)prop-2-enenitrile CAS Name: (E)-3-amino-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propenenitrile IUPAC Name: (E)-3-amino-3-(4-benzylpiperazin-4-ium-1-yl)prop-2-enenitrile Traditional Name: (E)-3-amino-3-(4-benzylpiperazin-4-ium-1-yl)acrylonitrile Formula: C14H19N4+ MolecularWeight: 243.32746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4/c15-7-6-14(16)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-6H,8-12,16H2/p+1/b14-6+