(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonyl-[3-(dimethylamino)propyl]-phenyl-azanium chloride

Systemtic Name: (3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonyl-[3-(dimethylamino)propyl]-phenyl-azanium chloride Openeye Name: (3-chloro-6-methoxy-benzothiophene-2-carbonyl)-[3-(dimethylamino)propyl]-phenyl-ammonium chloride CAS Name: [(3-chloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]-[3-(dimethylamino)propyl]-phenylammonium chloride IUPAC Name: (3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-[3-(dimethylamino)propyl]-phenylazanium chloride Traditional Name: (3-chloro-6-methoxy-benzothiophene-2-carbonyl)-[3-(dimethylamino)propyl]-phenyl-ammonium chloride Formula: C21H24Cl2N2O2S MolecularWeight: 439.39846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[NH+](C1=CC=CC=C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl.[Cl-]

Isomeric SMILES

CN(C)CCC[NH+](C1=CC=CC=C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl.[Cl-]

InChI

InChI=1S/C21H23ClN2O2S.ClH/c1-23(2)12-7-13-24(15-8-5-4-6-9-15)21(25)20-19(22)17-11-10-16(26-3)14-18(17)27-20;/h4-6,8-11,14H,7,12-13H2,1-3H3;1H