phenyl 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate hydrochloride

Systemtic Name: phenyl 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate hydrochloride Openeye Name: phenyl 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate hydrochloride CAS Name: 3-[5-(1-ethyl-1-pyrrolidin-1-iumyl)-1H-pyrrol-2-yl]-4-methoxybenzenesulfonic acid phenyl ester hydrochloride IUPAC Name: phenyl 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxybenzenesulfonate hydrochloride Traditional Name: 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonic acid phenyl ester hydrochloride Formula: C23H28ClN2O4S+ MolecularWeight: 463.99742

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1)C2=CC=C(N2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)OC.Cl

Isomeric SMILES

CC[N+]1(CCCC1)C2=CC=C(N2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)OC.Cl

InChI

InChI=1S/C23H27N2O4S.ClH/c1-3-25(15-7-8-16-25)23-14-12-21(24-23)20-17-19(11-13-22(20)28-2)30(26,27)29-18-9-5-4-6-10-18;/h4-6,9-14,17,24H,3,7-8,15-16H2,1-2H3;1H/q+1;