N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[4-[(3R)-3-methylpiperidino]sulfonylphenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-16-6-5-13-22(14-16)26(24,25)18-9-7-17(8-10-18)20-19(23)15-21-11-3-2-4-12-21/h7-10,16H,2-6,11-15H2,1H3,(H,20,23)/p+1/t16-/m1/s1