3-[[2-(2-chlorophenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(2-chlorophenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(2-chlorophenyl)-1,3-dioxo-4-isoquinolylidene]methylamino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(2-chlorophenyl)-1,3-dioxo-4-isoquinolinylidene]methylamino]propyl-dimethylammonium IUPAC Name: 3-[[2-(2-chlorophenyl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(2-chlorophenyl)-1,3-diketo-4-isoquinolylidene]methylamino]propyl-dimethyl-ammonium Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2/c1-24(2)13-7-12-23-14-17-15-8-3-4-9-16(15)20(26)25(21(17)27)19-11-6-5-10-18(19)22/h3-6,8-11,14,23H,7,12-13H2,1-2H3/p+1