1-(4-methoxy-3-methyl-phenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-1,4-diazepan-4-ium Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[NH2+]CC2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[NH2+]CC2)OC

InChI

InChI=1S/C13H20N2O3S/c1-11-10-12(4-5-13(11)18-2)19(16,17)15-8-3-6-14-7-9-15/h4-5,10,14H,3,6-9H2,1-2H3/p+1