1,3-benzodioxol-5-ylmethyl-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-methylazanium Traditional Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl-methyl-piperonyl-ammonium Formula: C21H22ClN2O2+ MolecularWeight: 369.86458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+](C)CC3=CC4=C(C=C3)OCO4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+](C)CC3=CC4=C(C=C3)OCO4)Cl)C

InChI

InChI=1S/C21H21ClN2O2/c1-13-4-6-16-9-17(21(22)23-20(16)14(13)2)11-24(3)10-15-5-7-18-19(8-15)26-12-25-18/h4-9H,10-12H2,1-3H3/p+1