3-[2-(dimethylazaniumyl)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indole-2-carboxylate

Systemtic Name: 3-[2-(dimethylazaniumyl)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indole-2-carboxylate Openeye Name: 3-[2-(dimethylammonio)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indole-2-carboxylate CAS Name: 3-[2-(dimethylammonio)ethyl]-5-(1-pyrrolidinylsulfonylmethyl)-1H-indole-2-carboxylate IUPAC Name: 3-[2-(dimethylazaniumyl)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indole-2-carboxylate Traditional Name: 3-[2-(dimethylammonio)ethyl]-5-(pyrrolidinosulfonylmethyl)-1H-indole-2-carboxylate Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=C(NC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC1=C(NC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3)C(=O)[O-]

InChI

InChI=1S/C18H25N3O4S/c1-20(2)10-7-14-15-11-13(5-6-16(15)19-17(14)18(22)23)12-26(24,25)21-8-3-4-9-21/h5-6,11,19H,3-4,7-10,12H2,1-2H3,(H,22,23)