benzenesulfonic acid; (2S)-2-(1-methyl-3-methylidene-pyrrolidin-1-ium-1-yl)-3-(4-methyl-1H-pyrrol-3-yl)propan-1-ol

Systemtic Name: benzenesulfonic acid; (2S)-2-(1-methyl-3-methylidene-pyrrolidin-1-ium-1-yl)-3-(4-methyl-1H-pyrrol-3-yl)propan-1-ol Openeye Name: benzenesulfonic acid; (2S)-2-(1-methyl-3-methylene-pyrrolidin-1-ium-1-yl)-3-(4-methyl-1H-pyrrol-3-yl)propan-1-ol CAS Name: benzenesulfonic acid; (2S)-2-(1-methyl-3-methylene-1-pyrrolidin-1-iumyl)-3-(4-methyl-1H-pyrrol-3-yl)-1-propanol IUPAC Name: benzenesulfonic acid; (2S)-2-(1-methyl-3-methylidenepyrrolidin-1-ium-1-yl)-3-(4-methyl-1H-pyrrol-3-yl)propan-1-ol Traditional Name: besylic acid; (2S)-2-(1-methyl-3-methylene-pyrrolidin-1-ium-1-yl)-3-(4-methyl-1H-pyrrol-3-yl)propan-1-ol Formula: C20H29N2O4S+ MolecularWeight: 393.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC=C1CC(CO)[N+]2(CCC(=C)C2)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CNC=C1C[C@@H](CO)[N+]2(CCC(=C)C2)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H23N2O.C6H6O3S/c1-11-4-5-16(3,9-11)14(10-17)6-13-8-15-7-12(13)2;7-10(8,9)6-4-2-1-3-5-6/h7-8,14-15,17H,1,4-6,9-10H2,2-3H3;1-5H,(H,7,8,9)/q+1;/t14-,16?;/m0./s1