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

Systemtic Name: [2-[(2,3-dimethylphenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium Openeye Name: [2-[(2,3-dimethylphenyl)methylamino]-3,4-dioxo-cyclobuten-1-yl]-dimethyl-propyl-ammonium CAS Name: [2-[(2,3-dimethylphenyl)methylamino]-3,4-dioxo-1-cyclobutenyl]-dimethyl-propylammonium IUPAC Name: [2-[(2,3-dimethylphenyl)methylamino]-3,4-dioxocyclobuten-1-yl]-dimethyl-propylazanium Traditional Name: [2-[(2,3-dimethylbenzyl)amino]-3,4-diketo-cyclobuten-1-yl]-dimethyl-propyl-ammonium Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=CC=CC(=C2C)C

Isomeric SMILES

CCC[N+](C)(C)C1=C(C(=O)C1=O)NCC2=CC=CC(=C2C)C

InChI

InChI=1S/C18H24N2O2/c1-6-10-20(4,5)16-15(17(21)18(16)22)19-11-14-9-7-8-12(2)13(14)3/h7-9H,6,10-11H2,1-5H3/p+1