3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-dimethyl-ammonium Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-20(2)13-7-12-19-18(22)16-8-10-17(11-9-16)25(23,24)21-14-5-3-4-6-15-21/h8-11H,3-7,12-15H2,1-2H3,(H,19,22)/p+1