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

Systemtic Name: phenyl 5-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-2-methyl-benzenesulfonate Openeye Name: phenyl 5-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-2-methyl-benzenesulfonate CAS Name: 5-[5-(1-ethyl-1-pyrrolidin-1-iumyl)-1H-pyrrol-2-yl]-4-methoxy-2-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-2-methylbenzenesulfonate Traditional Name: 5-[5-(1-ethylpyrrolidin-1-ium-1-yl)-1H-pyrrol-2-yl]-4-methoxy-2-methyl-benzenesulfonic acid phenyl ester Formula: C24H29N2O4S+ MolecularWeight: 441.56306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1)C2=CC=C(N2)C3=CC(=C(C=C3OC)C)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC[N+]1(CCCC1)C2=CC=C(N2)C3=CC(=C(C=C3OC)C)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H29N2O4S/c1-4-26(14-8-9-15-26)24-13-12-21(25-24)20-17-23(18(2)16-22(20)29-3)31(27,28)30-19-10-6-5-7-11-19/h5-7,10-13,16-17,25H,4,8-9,14-15H2,1-3H3/q+1