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

Systemtic Name: (Z)-2-piperazin-4-ium-1-ylcarbonyl-3-(3-propoxyphenyl)prop-2-enenitrile Openeye Name: (Z)-2-(piperazin-4-ium-1-carbonyl)-3-(3-propoxyphenyl)prop-2-enenitrile CAS Name: (Z)-2-[oxo(1-piperazin-4-iumyl)methyl]-3-(3-propoxyphenyl)-2-propenenitrile IUPAC Name: (Z)-2-(piperazin-4-ium-1-carbonyl)-3-(3-propoxyphenyl)prop-2-enenitrile Traditional Name: (Z)-2-(piperazin-4-ium-1-carbonyl)-3-(3-propoxyphenyl)acrylonitrile Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C=C(C#N)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCOC1=CC=CC(=C1)/C=C(/C#N)\C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H21N3O2/c1-2-10-22-16-5-3-4-14(12-16)11-15(13-18)17(21)20-8-6-19-7-9-20/h3-5,11-12,19H,2,6-10H2,1H3/p+1/b15-11-