2-azanyl-4-(cyanomethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(cyanomethyl)dinicotinonitrile Formula: C22H22N7+ MolecularWeight: 384.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC(=C(C(=C3C#N)CC#N)C#N)N

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC(=C(C(=C3C#N)CC#N)C#N)N

InChI

InChI=1S/C22H21N7/c23-9-8-18-19(15-24)21(26)27-22(20(18)16-25)29-13-11-28(12-14-29)10-4-7-17-5-2-1-3-6-17/h1-7H,8,10-14H2,(H2,26,27)/p+1/b7-4+