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

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-propyl-azanium Openeye Name: [2-[(3-chloro-4-cyano-phenyl)methylamino]-3,4-dioxo-cyclobuten-1-yl]-dimethyl-propyl-ammonium CAS Name: [2-[(3-chloro-4-cyanophenyl)methylamino]-3,4-dioxo-1-cyclobutenyl]-dimethyl-propylammonium IUPAC Name: [2-[(3-chloro-4-cyanophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]-dimethyl-propylazanium Traditional Name: [2-[(3-chloro-4-cyano-benzyl)amino]-3,4-diketo-cyclobuten-1-yl]-dimethyl-propyl-ammonium Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2/c1-4-7-21(2,3)15-14(16(22)17(15)23)20-10-11-5-6-12(9-19)13(18)8-11/h5-6,8H,4,7,10H2,1-3H3/p+1