(Z)-3-(4-methoxy-2-oxidanyl-phenyl)-2-piperazin-4-ium-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(4-methoxy-2-oxidanyl-phenyl)-2-piperazin-4-ium-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (Z)-3-(2-hydroxy-4-methoxy-phenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-(2-hydroxy-4-methoxyphenyl)-2-[oxo(1-piperazin-4-iumyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-(2-hydroxy-4-methoxyphenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-(2-hydroxy-4-methoxy-phenyl)-2-(piperazin-4-ium-1-carbonyl)acrylonitrile Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C(C#N)C(=O)N2CC[NH2+]CC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C(/C#N)\C(=O)N2CC[NH2+]CC2)O

InChI

InChI=1S/C15H17N3O3/c1-21-13-3-2-11(14(19)9-13)8-12(10-16)15(20)18-6-4-17-5-7-18/h2-3,8-9,17,19H,4-7H2,1H3/p+1/b12-8-