(2S)-2-methyl-N-phenethyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-2-methyl-N-phenethyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-2-methyl-N-phenethyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-2-methyl-N-phenethyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-2-methyl-N-phenethyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-2-methyl-N-phenethyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H25N3O3S/c1-14(13-23(21,22)19-11-9-17-10-12-19)16(20)18-8-7-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3,(H,18,20)/p+1/t14-/m1/s1