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

Systemtic Name: (Z)-3-(4-ethoxyphenyl)-2-piperazin-4-ium-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (Z)-3-(4-ethoxyphenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-(4-ethoxyphenyl)-2-[oxo(1-piperazin-4-iumyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-(4-ethoxyphenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-2-(piperazin-4-ium-1-carbonyl)-3-p-phenetyl-acrylonitrile Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(/C#N)\C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H19N3O2/c1-2-21-15-5-3-13(4-6-15)11-14(12-17)16(20)19-9-7-18-8-10-19/h3-6,11,18H,2,7-10H2,1H3/p+1/b14-11-