(E)-3-(4-ethoxy-3-methoxy-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C17H24N2O3/c1-4-22-15-7-5-14(13-16(15)21-3)6-8-17(20)19-11-9-18(2)10-12-19/h5-8,13H,4,9-12H2,1-3H3/p+1/b8-6+