(Z)-3-(5-chloranyl-2-methoxy-phenyl)-2-piperazin-4-ium-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(5-chloranyl-2-methoxy-phenyl)-2-piperazin-4-ium-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (Z)-3-(5-chloro-2-methoxy-phenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-(5-chloro-2-methoxyphenyl)-2-[oxo(1-piperazin-4-iumyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-(5-chloro-2-methoxyphenyl)-2-(piperazin-4-ium-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-(5-chloro-2-methoxy-phenyl)-2-(piperazin-4-ium-1-carbonyl)acrylonitrile Formula: C15H17ClN3O2+ MolecularWeight: 306.76738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O2/c1-21-14-3-2-13(16)9-11(14)8-12(10-17)15(20)19-6-4-18-5-7-19/h2-3,8-9,18H,4-7H2,1H3/p+1/b12-8-