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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]methylazanium Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]methylammonium CAS Name: [4-(1-azepanylsulfonyl)phenyl]methylammonium IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]methylazanium Traditional Name: [4-(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=C(C=C2)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c14-11-12-5-7-13(8-6-12)18(16,17)15-9-3-1-2-4-10-15/h5-8H,1-4,9-11,14H2/p+1