(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C23H28ClN2O3+ MolecularWeight: 415.93302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)N2CC[NH+](CC2C3=CC=CC=C3)C)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C)Cl)OC

InChI

InChI=1S/C23H27ClN2O3/c1-4-29-21-15-17(14-19(24)23(21)28-3)10-11-22(27)26-13-12-25(2)16-20(26)18-8-6-5-7-9-18/h5-11,14-15,20H,4,12-13,16H2,1-3H3/p+1/b11-10+/t20-/m0/s1