(E)-3-(4-methoxyphenyl)-2-piperazin-4-ium-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-methoxyphenyl)-2-piperazin-4-ium-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-methoxyphenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-methoxyphenyl)-2-[oxo(1-piperazin-4-iumyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methoxyphenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-methoxyphenyl)-2-(piperazin-4-ium-1-carbonyl)acrylonitrile Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2/c1-20-14-4-2-12(3-5-14)10-13(11-16)15(19)18-8-6-17-7-9-18/h2-5,10,17H,6-9H2,1H3/p+1/b13-10+