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

Systemtic Name: 2-methyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Openeye Name: 2-methyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline CAS Name: 2-methyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline IUPAC Name: 2-methyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Traditional Name: [2-methyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]amine Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCC[NH+](CC2)C)N

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCC[NH+](CC2)C)N

InChI

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