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

Systemtic Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Openeye Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline CAS Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline IUPAC Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Traditional Name: [4-methoxy-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]amine Formula: C13H22N3O3S+ MolecularWeight: 300.39708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3S/c1-15-6-3-7-16(9-8-15)20(17,18)13-10-11(14)4-5-12(13)19-2/h4-5,10H,3,6-9,14H2,1-2H3/p+1