(E)-3-(2-methoxyphenyl)-1-[4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxyphenyl)-1-[4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]-3-(2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)N2CC[NH+](CC2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)N2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C23H28N2O4/c1-28-22-10-6-5-7-19(22)11-12-23(27)25-15-13-24(14-16-25)17-20(26)18-29-21-8-3-2-4-9-21/h2-12,20,26H,13-18H2,1H3/p+1/b12-11+/t20-/m1/s1