[2-[(3-cyano-5-methyl-phenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium

Systemtic Name: [2-[(3-cyano-5-methyl-phenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium Openeye Name: [2-[(3-cyano-5-methyl-phenyl)methylamino]-3,4-dioxo-cyclobuten-1-yl]-dimethyl-propyl-ammonium CAS Name: [2-[(3-cyano-5-methylphenyl)methylamino]-3,4-dioxo-1-cyclobutenyl]-dimethyl-propylammonium IUPAC Name: [2-[(3-cyano-5-methylphenyl)methylamino]-3,4-dioxocyclobuten-1-yl]-dimethyl-propylazanium Traditional Name: [2-[(3-cyano-5-methyl-benzyl)amino]-3,4-diketo-cyclobuten-1-yl]-dimethyl-propyl-ammonium Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-5-6-21(3,4)16-15(17(22)18(16)23)20-11-14-8-12(2)7-13(9-14)10-19/h7-9H,5-6,11H2,1-4H3/p+1