(2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-(2,3-dimethyl-1-pyridin-1-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C([N+](=CC=C1)[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H25N3O3S/c1-15-7-6-14-23(16(15)2)17(3)20(24)21-18-8-10-19(11-9-18)27(25,26)22-12-4-5-13-22/h6-11,14,17H,4-5,12-13H2,1-3H3/p+1/t17-/m1/s1