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

Systemtic Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(4-pentan-3-yl-1-pyridin-1-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-3-18(4-2)19-11-15-24(16-12-19)17-22(26)23-20-7-9-21(10-8-20)29(27,28)25-13-5-6-14-25/h7-12,15-16,18H,3-6,13-14,17H2,1-2H3/p+1