3-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[(1,3-diketo-2-piperonyl-4H-isoquinolin-4-yl)methyleneamino]propyl-dimethyl-ammonium Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](C)CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O4/c1-25(2)11-5-10-24-13-19-17-6-3-4-7-18(17)22(27)26(23(19)28)14-16-8-9-20-21(12-16)30-15-29-20/h3-4,6-9,12-13,19H,5,10-11,14-15H2,1-2H3/p+1