[2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]phenyl]methylazanium

Systemtic Name: [2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]phenyl]methylazanium Openeye Name: [2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]phenyl]methylammonium CAS Name: [2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]phenyl]methylammonium IUPAC Name: [2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]phenyl]methylazanium Traditional Name: [2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonylmethyl]benzyl]ammonium Formula: C14H25N3O2S+2 MolecularWeight: 299.4322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C14H23N3O2S/c1-16-7-4-8-17(10-9-16)20(18,19)12-14-6-3-2-5-13(14)11-15/h2-3,5-6H,4,7-12,15H2,1H3/p+2