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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]methylazanium Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]methylammonium CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]methylammonium IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]methylazanium Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-benzyl]ammonium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH3+])S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH3+])S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H22N2O2S/c1-12-6-7-13(11-15)10-14(12)19(17,18)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,15H2,1H3/p+1