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

Systemtic Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(4-pentan-3-yl-1-pyridin-1-iumyl)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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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)N3CCCCC3

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

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