1-(azepan-1-yl)-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-(1-azepanyl)-2,2-dimethyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C15H30N3O3S+ MolecularWeight: 332.482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O3S/c1-15(2,14(19)17-9-5-3-4-6-10-17)13-22(20,21)18-11-7-16-8-12-18/h16H,3-13H2,1-2H3/p+1