2-[4-(1-butoxycarbonylpyrrolidin-1-ium-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-(1-butoxycarbonylpyrrolidin-1-ium-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(1-butoxycarbonylpyrrolidin-1-ium-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[1-[butoxy(oxo)methyl]-1-pyrrolidin-1-iumyl]sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(1-butoxycarbonylpyrrolidin-1-ium-1-yl)sulfonyl-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(1-butoxycarbonylpyrrolidin-1-ium-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C30H41N2O6S+ MolecularWeight: 557.72134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)[N+]1(CCCC1)S(=O)(=O)C2=CC(=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O)C

Isomeric SMILES

CCCCOC(=O)[N+]1(CCCC1)S(=O)(=O)C2=CC(=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O)C

InChI

InChI=1S/C30H40N2O6S/c1-3-4-21-38-30(35)32(19-7-8-20-32)39(36,37)26-14-16-27(23(2)22-26)28(29(33)34)15-11-24-9-12-25(13-10-24)31-17-5-6-18-31/h9-10,12-14,16,22,28H,3-8,11,15,17-21H2,1-2H3/p+1