N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[7-methoxy-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]-N-[[(2R)-2-oxolanyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(7-methoxy-2-pyrrolidino-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-piperonylamide Formula: C28H32N3O5+ MolecularWeight: 490.57078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3CCCO3)C(=O)C4=CC5=C(C=C4)OCO5)N6CCCC6

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C[C@H]3CCCO3)C(=O)C4=CC5=C(C=C4)OCO5)N6CCCC6

InChI

InChI=1S/C28H31N3O5/c1-33-22-8-6-19-13-21(27(29-24(19)15-22)30-10-2-3-11-30)16-31(17-23-5-4-12-34-23)28(32)20-7-9-25-26(14-20)36-18-35-25/h6-9,13-15,23H,2-5,10-12,16-18H2,1H3/p+1/t23-/m1/s1