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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-13-3-5-15(6-4-13)11-18-16(20)14(2)12-23(21,22)19-9-7-17-8-10-19/h3-6,14,17H,7-12H2,1-2H3,(H,18,20)/p+1/t14-/m1/s1