1-(4-piperazin-4-ium-1-ylphenyl)sulfonylazepane

Systemtic Name: 1-(4-piperazin-4-ium-1-ylphenyl)sulfonylazepane Openeye Name: 1-(4-piperazin-4-ium-1-ylphenyl)sulfonylazepane CAS Name: 1-[4-(1-piperazin-4-iumyl)phenyl]sulfonylazepane IUPAC Name: 1-(4-piperazin-4-ium-1-ylphenyl)sulfonylazepane Traditional Name: 1-(4-piperazin-4-ium-1-ylphenyl)sulfonylazepane Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H25N3O2S/c20-22(21,19-11-3-1-2-4-12-19)16-7-5-15(6-8-16)18-13-9-17-10-14-18/h5-8,17H,1-4,9-14H2/p+1