(E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-(4-p-anisylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C24H30N2O4/c1-4-30-23-17-19(7-11-22(23)29-3)8-12-24(27)26-15-13-25(14-16-26)18-20-5-9-21(28-2)10-6-20/h5-12,17H,4,13-16,18H2,1-3H3/p+1/b12-8+