2-(1,3-benzodioxol-5-yl)ethyl-[(6-methoxy-8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(6-methoxy-8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(6-methoxy-8-methyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(6-methoxy-8-methyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(6-methoxy-8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: homopiperonyl-[(2-keto-6-methoxy-8-methyl-1H-quinolin-3-yl)methyl]ammonium Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OC)C=C(C(=O)N2)C[NH2+]CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C2C(=CC(=C1)OC)C=C(C(=O)N2)C[NH2+]CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4/c1-13-7-17(25-2)10-15-9-16(21(24)23-20(13)15)11-22-6-5-14-3-4-18-19(8-14)27-12-26-18/h3-4,7-10,22H,5-6,11-12H2,1-2H3,(H,23,24)/p+1