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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]methylazanium Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]methylammonium CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]methylammonium IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]methylazanium Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-benzyl]ammonium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C[NH3+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C[NH3+]

InChI

InChI=1S/C14H22N2O3S/c1-19-14-7-6-13(10-12(14)11-15)20(17,18)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,15H2,1H3/p+1