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

Systemtic Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2S)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-[2-(2-thienyl)ethyl]propionamide Formula: C14H24N3O3S2+ MolecularWeight: 346.48866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCCC2=CC=CS2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCCC2=CC=CS2

InChI

InChI=1S/C14H23N3O3S2/c1-12(11-22(19,20)17-8-6-15-7-9-17)14(18)16-5-4-13-3-2-10-21-13/h2-3,10,12,15H,4-9,11H2,1H3,(H,16,18)/p+1/t12-/m1/s1