2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O3S/c1-15-6-5-9-20(13-15)14-18(22)19-16-7-4-8-17(12-16)25(23,24)21-10-2-3-11-21/h4,7-8,12,15H,2-3,5-6,9-11,13-14H2,1H3,(H,19,22)/p+1/t15-/m0/s1