(E)-3-(3-nitrophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitrophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-nitrophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enenitrile CAS Name: (E)-3-(3-nitrophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propenenitrile IUPAC Name: (E)-3-(3-nitrophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-nitrophenyl)-3-(4-pyridin-1-ium-2-ylpiperazino)acrylonitrile Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)/C(=C/C#N)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c19-8-7-17(15-4-3-5-16(14-15)23(24)25)21-10-12-22(13-11-21)18-6-1-2-9-20-18/h1-7,9,14H,10-13H2/p+1/b17-7+