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

Systemtic Name: 3-chloranyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Openeye Name: 3-chloro-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline CAS Name: 3-chloro-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline IUPAC Name: 3-chloro-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Traditional Name: [3-chloro-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]amine Formula: C12H19ClN3O2S+ MolecularWeight: 304.81616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClN3O2S/c1-15-5-2-6-16(8-7-15)19(17,18)12-4-3-10(14)9-11(12)13/h3-4,9H,2,5-8,14H2,1H3/p+1