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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-(methylthio)-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]propanamide Traditional Name: N-[[7-(methylthio)-2-pyrrolidino-quinolin-1-ium-3-yl]methyl]-N-piperonyl-propionamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-3-25(30)29(15-18-6-9-23-24(12-18)32-17-31-23)16-20-13-19-7-8-21(33-2)14-22(19)27-26(20)28-10-4-5-11-28/h6-9,12-14H,3-5,10-11,15-17H2,1-2H3/p+1