[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]methylazanium

Systemtic Name: [4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]methylazanium Openeye Name: [4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]methylammonium CAS Name: [4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]methylammonium IUPAC Name: [4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]methylazanium Traditional Name: [4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]benzyl]ammonium Formula: C13H23N3O2S+2 MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C[NH3+]

InChI

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