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

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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