(2R)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-4-18-8-7-16(2)24(15-18)17(3)21(25)22-19-9-11-20(12-10-19)28(26,27)23-13-5-6-14-23/h7-12,15,17H,4-6,13-14H2,1-3H3/p+1/t17-/m1/s1