(Z)-2-piperazin-4-ium-1-ylcarbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile

Systemtic Name: (Z)-2-piperazin-4-ium-1-ylcarbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile Openeye Name: (Z)-3-(4-isopropylphenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-2-[oxo(1-piperazin-4-iumyl)methyl]-3-(4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (Z)-2-(piperazin-4-ium-1-carbonyl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (Z)-3-p-cumenyl-2-(piperazin-4-ium-1-carbonyl)acrylonitrile Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(/C#N)\C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H21N3O/c1-13(2)15-5-3-14(4-6-15)11-16(12-18)17(21)20-9-7-19-8-10-20/h3-6,11,13,19H,7-10H2,1-2H3/p+1/b16-11-