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

Systemtic Name: ethyl 2-cyano-3-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]prop-2-enoate Openeye Name: ethyl 3-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-cyano-prop-2-enoate CAS Name: 2-cyano-3-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-cyanoprop-2-enoate Traditional Name: 3-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-cyano-acrylic acid ethyl ester Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H25N3O2/c1-2-28-23(27)21(17-24)16-19-8-10-22(11-9-19)26-14-12-25(13-15-26)18-20-6-4-3-5-7-20/h3-11,16H,2,12-15,18H2,1H3/p+1