(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H33N3O3S/c1-16-13-17(2)15-23(14-16)18(3)21(25)22-19-7-9-20(10-8-19)28(26,27)24-11-5-4-6-12-24/h7-10,16-18H,4-6,11-15H2,1-3H3,(H,22,25)/p+1/t16-,17-,18-/m0/s1