3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline

Systemtic Name: 3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Openeye Name: 3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline CAS Name: 3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline IUPAC Name: 3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Traditional Name: [3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]amine Formula: C12H20N3O2S+ MolecularWeight: 270.3711

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N

InChI

InChI=1S/C12H19N3O2S/c1-14-6-3-7-15(9-8-14)18(16,17)12-5-2-4-11(13)10-12/h2,4-5,10H,3,6-9,13H2,1H3/p+1