N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-(methylthio)-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]acetamide Traditional Name: N-[[7-(methylthio)-2-pyrrolidino-quinolin-1-ium-3-yl]methyl]-N-piperonyl-acetamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C([NH+]=C4C=C(C=CC4=C3)SC)N5CCCC5

Isomeric SMILES

CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C([NH+]=C4C=C(C=CC4=C3)SC)N5CCCC5

InChI

InChI=1S/C25H27N3O3S/c1-17(29)28(14-18-5-8-23-24(11-18)31-16-30-23)15-20-12-19-6-7-21(32-2)13-22(19)26-25(20)27-9-3-4-10-27/h5-8,11-13H,3-4,9-10,14-16H2,1-2H3/p+1