(2S)-1-(azepan-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: (2S)-1-(azepan-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: (2S)-1-(1-azepanyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: (2S)-1-(azepan-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C14H28N3O3S+ MolecularWeight: 318.45542

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCCCCC2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCCCCC2

InChI

InChI=1S/C14H27N3O3S/c1-13(14(18)16-8-4-2-3-5-9-16)12-21(19,20)17-10-6-15-7-11-17/h13,15H,2-12H2,1H3/p+1/t13-/m1/s1