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

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2C3=CC=CC=C3)C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C)OC

InChI

InChI=1S/C24H30N2O3/c1-18(2)29-22-12-10-19(16-23(22)28-4)11-13-24(27)26-15-14-25(3)17-21(26)20-8-6-5-7-9-20/h5-13,16,18,21H,14-15,17H2,1-4H3/p+1/b13-11+/t21-/m0/s1