ethyl (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylic acid ethyl ester Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC=C1N2CC[NH+](CC2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=CC=C1N2CC[NH+](CC2)C)/C#N

InChI

InChI=1S/C17H21N3O2/c1-3-22-17(21)15(13-18)12-14-6-4-5-7-16(14)20-10-8-19(2)9-11-20/h4-7,12H,3,8-11H2,1-2H3/p+1/b15-12+