3-piperazin-4-ium-1-ylsulfonyl-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 3-(1-piperazin-4-iumylsulfonyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: N-mesityl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCS(=O)(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCS(=O)(=O)N2CC[NH2+]CC2)C

InChI

InChI=1S/C16H25N3O3S/c1-12-10-13(2)16(14(3)11-12)18-15(20)4-9-23(21,22)19-7-5-17-6-8-19/h10-11,17H,4-9H2,1-3H3,(H,18,20)/p+1