benzenesulfonic acid; (2S)-3-(1H-indol-3-yl)-2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propan-1-ol

Systemtic Name: benzenesulfonic acid; (2S)-3-(1H-indol-3-yl)-2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propan-1-ol Openeye Name: benzenesulfonic acid; (2S)-3-(1H-indol-3-yl)-2-(2-methylisoindolin-2-ium-2-yl)propan-1-ol CAS Name: benzenesulfonic acid; (2S)-3-(1H-indol-3-yl)-2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)-1-propanol IUPAC Name: benzenesulfonic acid; (2S)-3-(1H-indol-3-yl)-2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propan-1-ol Traditional Name: besylic acid; (2S)-3-(1H-indol-3-yl)-2-(2-methylisoindolin-2-ium-2-yl)propan-1-ol Formula: C26H29N2O4S+ MolecularWeight: 465.58446

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=CC=CC=C2C1)C(CC3=CNC4=CC=CC=C43)CO.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C[N+]1(CC2=CC=CC=C2C1)[C@@H](CC3=CNC4=CC=CC=C43)CO.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H23N2O.C6H6O3S/c1-22(12-15-6-2-3-7-16(15)13-22)18(14-23)10-17-11-21-20-9-5-4-8-19(17)20;7-10(8,9)6-4-2-1-3-5-6/h2-9,11,18,21,23H,10,12-14H2,1H3;1-5H,(H,7,8,9)/q+1;/t18-;/m0./s1