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

Systemtic Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(3-methoxy-4-propoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-(4-p-anisylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C25H32N2O4/c1-4-17-31-23-11-7-20(18-24(23)30-3)8-12-25(28)27-15-13-26(14-16-27)19-21-5-9-22(29-2)10-6-21/h5-12,18H,4,13-17,19H2,1-3H3/p+1/b12-8+