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

Systemtic Name: (2S)-2-methyl-N-[(3-methylphenyl)methyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-2-methyl-N-(m-tolylmethyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-2-methyl-N-[(3-methylphenyl)methyl]-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-2-methyl-N-[(3-methylphenyl)methyl]-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-2-methyl-N-(3-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(=CC=C1)CNC(=O)C(C)CS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

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