(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)OC

InChI

InChI=1S/C25H32N2O4/c1-20(2)31-23-11-9-21(19-24(23)29-3)10-12-25(28)27-15-13-26(14-16-27)17-18-30-22-7-5-4-6-8-22/h4-12,19-20H,13-18H2,1-3H3/p+1/b12-10+