[2-(azepan-1-ylsulfonyl)phenyl]methylazanium

Systemtic Name: [2-(azepan-1-ylsulfonyl)phenyl]methylazanium Openeye Name: [2-(azepan-1-ylsulfonyl)phenyl]methylammonium CAS Name: [2-(1-azepanylsulfonyl)phenyl]methylammonium IUPAC Name: [2-(azepan-1-ylsulfonyl)phenyl]methylazanium Traditional Name: [2-(azepan-1-ylsulfonyl)benzyl]ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C[NH3+]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C13H20N2O2S/c14-11-12-7-3-4-8-13(12)18(16,17)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11,14H2/p+1