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

Systemtic Name: N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-[(3R)-3-methylpiperidino]sulfonylphenyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C18H27N3O3S/c1-15-5-4-12-21(13-15)25(23,24)17-8-6-16(7-9-17)19-18(22)14-20-10-2-3-11-20/h6-9,15H,2-5,10-14H2,1H3,(H,19,22)/p+1/t15-/m1/s1