(Z)-3-(2-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(2-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-2-(4-methylpiperazin-4-ium-1-carbonyl)-3-(o-tolyl)prop-2-enenitrile CAS Name: (Z)-3-(2-methylphenyl)-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-(2-methylphenyl)-2-(4-methylpiperazin-4-ium-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-2-(4-methylpiperazin-4-ium-1-carbonyl)-3-(o-tolyl)acrylonitrile Formula: C16H20N3O+ MolecularWeight: 270.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C#N)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1/C=C(/C#N)\C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H19N3O/c1-13-5-3-4-6-14(13)11-15(12-17)16(20)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3/p+1/b15-11-