1-[3-methoxy-4-[(2R)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[(2R)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2R)-2-hydroxy-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2R)-2-hydroxy-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanone Formula: C23H31N2O4+ MolecularWeight: 399.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=C(C=C(C=C3)C(=O)C)OC)O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)C[C@H](COC3=C(C=C(C=C3)C(=O)C)OC)O

InChI

InChI=1S/C23H30N2O4/c1-17-6-4-5-7-21(17)25-12-10-24(11-13-25)15-20(27)16-29-22-9-8-19(18(2)26)14-23(22)28-3/h4-9,14,20,27H,10-13,15-16H2,1-3H3/p+1/t20-/m1/s1