(2R,3R)-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R,3R)-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R,3R)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2R,3R)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2R,3R)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R,3R)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Formula: C28H30N3O3+ MolecularWeight: 456.5561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)C2=CNC3=CC=CC=C32)O)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]([C@H](C(=O)C2=CNC3=CC=CC=C32)O)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-34-22-13-11-20(12-14-22)26(31-17-15-30(16-18-31)21-7-3-2-4-8-21)28(33)27(32)24-19-29-25-10-6-5-9-23(24)25/h2-14,19,26,28-29,33H,15-18H2,1H3/p+1/t26-,28-/m1/s1