(2S)-N-(4-methylsulfonylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-methylsulfonylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-methylsulfonylphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(4-methylsulfonylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-methylsulfonylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-mesylphenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)C)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)C)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3O3S/c1-11(17-9-7-15-8-10-17)14(18)16-12-3-5-13(6-4-12)21(2,19)20/h3-6,11,15H,7-10H2,1-2H3,(H,16,18)/p+1/t11-/m0/s1