3-(4-propylpiperazin-4-ium-1-yl)sulfonylaniline

Systemtic Name: 3-(4-propylpiperazin-4-ium-1-yl)sulfonylaniline Openeye Name: 3-(4-propylpiperazin-4-ium-1-yl)sulfonylaniline CAS Name: 3-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]aniline IUPAC Name: 3-(4-propylpiperazin-4-ium-1-yl)sulfonylaniline Traditional Name: [3-(4-propylpiperazin-4-ium-1-yl)sulfonylphenyl]amine Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N

InChI

InChI=1S/C13H21N3O2S/c1-2-6-15-7-9-16(10-8-15)19(17,18)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10,14H2,1H3/p+1