3,4-dimethyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline

Systemtic Name: 3,4-dimethyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Openeye Name: 3,4-dimethyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline CAS Name: 3,4-dimethyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline IUPAC Name: 3,4-dimethyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Traditional Name: [3,4-dimethyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]amine Formula: C14H24N3O2S+ MolecularWeight: 298.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC[NH+](CC2)C)N

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC[NH+](CC2)C)N

InChI

InChI=1S/C14H23N3O2S/c1-11-9-13(15)10-14(12(11)2)20(18,19)17-6-4-5-16(3)7-8-17/h9-10H,4-8,15H2,1-3H3/p+1