[2-[(2-chloranyl-4-cyano-6-methyl-phenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium

Systemtic Name: [2-[(2-chloranyl-4-cyano-6-methyl-phenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium Openeye Name: [2-[(2-chloro-4-cyano-6-methyl-phenyl)methylamino]-3,4-dioxo-cyclobuten-1-yl]-dimethyl-propyl-ammonium CAS Name: [2-[(2-chloro-4-cyano-6-methylphenyl)methylamino]-3,4-dioxo-1-cyclobutenyl]-dimethyl-propylammonium IUPAC Name: [2-[(2-chloro-4-cyano-6-methylphenyl)methylamino]-3,4-dioxocyclobuten-1-yl]-dimethyl-propylazanium Traditional Name: [2-[(2-chloro-4-cyano-6-methyl-benzyl)amino]-3,4-diketo-cyclobuten-1-yl]-dimethyl-propyl-ammonium Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=C(C=C(C=C2Cl)C#N)C

Isomeric SMILES

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=C(C=C(C=C2Cl)C#N)C

InChI

InChI=1S/C18H20ClN3O2/c1-5-6-22(3,4)16-15(17(23)18(16)24)21-10-13-11(2)7-12(9-20)8-14(13)19/h7-8H,5-6,10H2,1-4H3/p+1