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1-(3-piperazin-4-ium-1-ylphenyl)sulfonylazepane

1-(3-piperazin-4-ium-1-ylphenyl)sulfonylazepane

Systemtic Name:1-(3-piperazin-4-ium-1-ylphenyl)sulfonylazepane
Openeye Name:1-(3-piperazin-4-ium-1-ylphenyl)sulfonylazepane
CAS Name:1-[3-(1-piperazin-4-iumyl)phenyl]sulfonylazepane
IUPAC Name:1-(3-piperazin-4-ium-1-ylphenyl)sulfonylazepane
Traditional Name:1-(3-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=CC(=C2)N3CC[NH2+]CC3


Isomeric SMILES

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


InChI

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


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