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

Systemtic Name: (2S)-N-(3-chlorophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-(3-chlorophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-(3-chlorophenyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-(3-chlorophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-(3-chlorophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C14H21ClN3O3S+ MolecularWeight: 346.85284

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H20ClN3O3S/c1-11(10-22(20,21)18-7-5-16-6-8-18)14(19)17-13-4-2-3-12(15)9-13/h2-4,9,11,16H,5-8,10H2,1H3,(H,17,19)/p+1/t11-/m1/s1