3,6-bis(chloranyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzothiophene-2-carboxamide Formula: C17H21Cl2N2O2S+ MolecularWeight: 388.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl)[NH+]3CCOCC3

InChI

InChI=1S/C17H20Cl2N2O2S/c1-17(2,21-5-7-23-8-6-21)10-20-16(22)15-14(19)12-4-3-11(18)9-13(12)24-15/h3-4,9H,5-8,10H2,1-2H3,(H,20,22)/p+1