(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-(4-pentan-3-yl-1-pyridin-1-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-4-19(5-2)20-12-16-25(17-13-20)18(3)23(27)24-21-8-10-22(11-9-21)30(28,29)26-14-6-7-15-26/h8-13,16-19H,4-7,14-15H2,1-3H3/p+1/t18-/m1/s1