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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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