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

Systemtic Name: (2S)-N-(furan-2-ylmethyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-(2-furylmethyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-(2-furanylmethyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-(furan-2-ylmethyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-(2-furfuryl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C13H22N3O4S+ MolecularWeight: 316.39648

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCC2=CC=CO2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C13H21N3O4S/c1-11(13(17)15-9-12-3-2-8-20-12)10-21(18,19)16-6-4-14-5-7-16/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,15,17)/p+1/t11-/m1/s1