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

Systemtic Name: phenyl 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate Openeye Name: phenyl 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate CAS Name: 3-[5-(1-ethyl-1-pyrrolidin-1-iumyl)-1H-pyrrol-2-yl]-4-methoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxybenzenesulfonate Traditional Name: 3-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonic acid phenyl ester Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N2O4S/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/q+1