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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium Openeye Name: [2-[(3-chloro-2-methyl-phenyl)methylamino]-3,4-dioxo-cyclobuten-1-yl]-dimethyl-propyl-ammonium CAS Name: [2-[(3-chloro-2-methylphenyl)methylamino]-3,4-dioxo-1-cyclobutenyl]-dimethyl-propylammonium IUPAC Name: [2-[(3-chloro-2-methylphenyl)methylamino]-3,4-dioxocyclobuten-1-yl]-dimethyl-propylazanium Traditional Name: [2-[(3-chloro-2-methyl-benzyl)amino]-3,4-diketo-cyclobuten-1-yl]-dimethyl-propyl-ammonium Formula: C17H22ClN2O2+ MolecularWeight: 321.82178

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C17H21ClN2O2/c1-5-9-20(3,4)15-14(16(21)17(15)22)19-10-12-7-6-8-13(18)11(12)2/h6-8H,5,9-10H2,1-4H3/p+1