2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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