ethyl-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-(furan-2-yl)-methyl-azanium hydrochloride

Systemtic Name: ethyl-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-(furan-2-yl)-methyl-azanium hydrochloride Openeye Name: ethyl-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-(2-furyl)-methyl-ammonium hydrochloride CAS Name: ethyl-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-(2-furanyl)-methylammonium hydrochloride IUPAC Name: ethyl-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-(furan-2-yl)-methylazanium hydrochloride Traditional Name: [5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl-ethyl-(2-furyl)-methyl-ammonium hydrochloride Formula: C21H28ClN2O4S+ MolecularWeight: 439.97602

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC1=CC=C(N1)C2=C(C=CC(=C2)S(=O)(=O)CC)OC)C3=CC=CO3.Cl

Isomeric SMILES

CC[N+](C)(CC1=CC=C(N1)C2=C(C=CC(=C2)S(=O)(=O)CC)OC)C3=CC=CO3.Cl

InChI

InChI=1S/C21H27N2O4S.ClH/c1-5-23(3,21-8-7-13-27-21)15-16-9-11-19(22-16)18-14-17(28(24,25)6-2)10-12-20(18)26-4;/h7-14,22H,5-6,15H2,1-4H3;1H/q+1;