2-[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[1-benzothiophen-2-yl(oxo)methyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(1-benzothiophene-2-carbonyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C18H23N3O2S/c1-19(2)17(22)13-20-8-5-9-21(11-10-20)18(23)16-12-14-6-3-4-7-15(14)24-16/h3-4,6-7,12H,5,8-11,13H2,1-2H3/p+1