[4-[2-(2,4-dimethylphenoxy)-1,2-diethyl-aziridin-1-ium-1-yl]-2-methyl-phenyl]iminoazanium

Systemtic Name: [4-[2-(2,4-dimethylphenoxy)-1,2-diethyl-aziridin-1-ium-1-yl]-2-methyl-phenyl]iminoazanium Openeye Name: [4-[2-(2,4-dimethylphenoxy)-1,2-diethyl-aziridin-1-ium-1-yl]-2-methyl-phenyl]iminoammonium CAS Name: [4-[2-(2,4-dimethylphenoxy)-1,2-diethyl-1-aziridin-1-iumyl]-2-methylphenyl]iminoammonium IUPAC Name: [4-[2-(2,4-dimethylphenoxy)-1,2-diethylaziridin-1-ium-1-yl]-2-methylphenyl]iminoazanium Traditional Name: [4-[2-(2,4-dimethylphenoxy)-1,2-diethyl-ethylenimin-1-ium-1-yl]-2-methyl-phenyl]iminoammonium Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[N+]1(CC)C2=CC(=C(C=C2)N=[NH2+])C)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1(C[N+]1(CC)C2=CC(=C(C=C2)N=[NH2+])C)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H28N3O/c1-6-21(25-20-11-8-15(3)12-17(20)5)14-24(21,7-2)18-9-10-19(23-22)16(4)13-18/h8-13,22H,6-7,14H2,1-5H3/q+1/p+1