4-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-(4-methylpiperazin-4-ium-1-yl)prop-1-enyl]benzonitrile Formula: C15H18N3O+ MolecularWeight: 256.32292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H17N3O/c1-17-8-10-18(11-9-17)15(19)7-6-13-2-4-14(12-16)5-3-13/h2-7H,8-11H2,1H3/p+1/b7-6+