(2S)-1-(5-methylthiophen-2-yl)sulfonyl-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(5-methylthiophen-2-yl)sulfonyl-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(5-methylthiophen-2-yl)sulfonyl-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-(6-pyrrolidinopyridin-1-ium-3-yl)pyrrolidine-2-carboxamide Formula: C19H25N4O3S2+ MolecularWeight: 421.5568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC2C(=O)NC3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C19H24N4O3S2/c1-14-6-9-18(27-14)28(25,26)23-12-4-5-16(23)19(24)21-15-7-8-17(20-13-15)22-10-2-3-11-22/h6-9,13,16H,2-5,10-12H2,1H3,(H,21,24)/p+1/t16-/m0/s1