1-(3-piperazin-4-ium-1-ylpropylsulfonyl)azepane

Systemtic Name: 1-(3-piperazin-4-ium-1-ylpropylsulfonyl)azepane Openeye Name: 1-(3-piperazin-4-ium-1-ylpropylsulfonyl)azepane CAS Name: 1-[3-(1-piperazin-4-iumyl)propylsulfonyl]azepane IUPAC Name: 1-(3-piperazin-4-ium-1-ylpropylsulfonyl)azepane Traditional Name: 1-(3-piperazin-4-ium-1-ylpropylsulfonyl)azepane Formula: C13H28N3O2S+ MolecularWeight: 290.44532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CCCN2CC[NH2+]CC2

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CCCN2CC[NH2+]CC2

InChI

InChI=1S/C13H27N3O2S/c17-19(18,16-9-3-1-2-4-10-16)13-5-8-15-11-6-14-7-12-15/h14H,1-13H2/p+1