N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]propanamide Traditional Name: N-[(5,8-dimethoxy-2-pyrrolidino-quinolin-1-ium-3-yl)methyl]-N-piperonyl-propionamide Formula: C27H32N3O5+ MolecularWeight: 478.56008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=CC(=C4[NH+]=C3N5CCCC5)OC)OC

Isomeric SMILES

CCC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=CC(=C4[NH+]=C3N5CCCC5)OC)OC

InChI

InChI=1S/C27H31N3O5/c1-4-25(31)30(15-18-7-8-22-24(13-18)35-17-34-22)16-19-14-20-21(32-2)9-10-23(33-3)26(20)28-27(19)29-11-5-6-12-29/h7-10,13-14H,4-6,11-12,15-17H2,1-3H3/p+1