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

Systemtic Name: (2S)-2-methyl-N-(4-methylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(p-tolyl)propanamide CAS Name: (2S)-2-methyl-N-(4-methylphenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-2-methyl-N-(4-methylphenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(p-tolyl)propionamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)CS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H23N3O3S/c1-12-3-5-14(6-4-12)17-15(19)13(2)11-22(20,21)18-9-7-16-8-10-18/h3-6,13,16H,7-11H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1