1,3-benzodioxol-5-ylmethyl-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxycarbonyl-4-methyl-2-quinolyl)methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl]-methylazanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-methyl-piperonyl-ammonium Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-14-16-6-4-5-7-17(16)23-18(21(14)22(25)26-3)12-24(2)11-15-8-9-19-20(10-15)28-13-27-19/h4-10H,11-13H2,1-3H3/p+1