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

Systemtic Name: 1-(azepan-1-yl)-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C13H26N3O3S+ MolecularWeight: 304.42884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

C1CCCN(CC1)C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C13H25N3O3S/c17-13(15-8-3-1-2-4-9-15)5-12-20(18,19)16-10-6-14-7-11-16/h14H,1-12H2/p+1