N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-chloranyl-2-(dimethylamino)quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-chloranyl-2-(dimethylamino)quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-chloro-2-(dimethylamino)quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-chloro-2-(dimethylamino)-3-quinolin-1-iumyl]methyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-chloro-2-(dimethylamino)quinolin-1-ium-3-yl]methyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[[7-chloro-2-(dimethylamino)quinolin-1-ium-3-yl]methyl]-5-methyl-N-piperonyl-thiophene-2-carboxamide Formula: C26H25ClN3O3S+ MolecularWeight: 495.013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C([NH+]=C5C=C(C=CC5=C4)Cl)N(C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C([NH+]=C5C=C(C=CC5=C4)Cl)N(C)C

InChI

InChI=1S/C26H24ClN3O3S/c1-16-4-9-24(34-16)26(31)30(13-17-5-8-22-23(10-17)33-15-32-22)14-19-11-18-6-7-20(27)12-21(18)28-25(19)29(2)3/h4-12H,13-15H2,1-3H3/p+1