(2S)-N-(3,5-dimethylphenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-(3,5-dimethylphenyl)-2-methyl-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)NC(=O)C(C)CS(=O)(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-12-8-13(2)10-15(9-12)18-16(20)14(3)11-23(21,22)19-6-4-17-5-7-19/h8-10,14,17H,4-7,11H2,1-3H3,(H,18,20)/p+1/t14-/m1/s1