2-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

InChI

InChI=1S/C18H29N3O4S/c1-20(2)13-10-19-26(23,24)15-8-9-17(25-3)16(14-15)18(22)21-11-6-4-5-7-12-21/h8-9,14,19H,4-7,10-13H2,1-3H3/p+1