2,2-dimethyl-N-(2-methylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: 2,2-dimethyl-N-(2-methylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: 2,2-dimethyl-N-(o-tolyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: 2,2-dimethyl-N-(2-methylphenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: 2,2-dimethyl-N-(2-methylphenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: 2,2-dimethyl-N-(o-tolyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)(C)CS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)(C)CS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N3O3S/c1-13-6-4-5-7-14(13)18-15(20)16(2,3)12-23(21,22)19-10-8-17-9-11-19/h4-7,17H,8-12H2,1-3H3,(H,18,20)/p+1