(3S)-1-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[(4-morpholinosulfonylphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[(4-morpholinosulfonylbenzyl)amino]ethyl]piperidin-1-ium-3-carboxamide Formula: C19H29N4O5S+ MolecularWeight: 425.52236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N

InChI

InChI=1S/C19H28N4O5S/c20-19(25)16-2-1-7-22(13-16)14-18(24)21-12-15-3-5-17(6-4-15)29(26,27)23-8-10-28-11-9-23/h3-6,16H,1-2,7-14H2,(H2,20,25)(H,21,24)/p+1/t16-/m0/s1