N,N-diethyl-2-methanidyl-4-methyl-aniline; scandium(3+)

Systemtic Name: N,N-diethyl-2-methanidyl-4-methyl-aniline; scandium(3+) Openeye Name: N,N-diethyl-2-methanidyl-4-methyl-aniline; scandium(3+) CAS Name: N,N-diethyl-2-methanidyl-4-methylaniline; scandium(3+) IUPAC Name: N,N-diethyl-2-methanidyl-4-methylaniline; scandium(3+) Traditional Name: diethyl-(2-methanidyl-4-methyl-phenyl)amine; scandium(3+) Formula: C36H54N3Sc MolecularWeight: 573.78997

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C)[CH2-].CCN(CC)C1=C(C=C(C=C1)C)[CH2-].CCN(CC)C1=C(C=C(C=C1)C)[CH2-].[Sc+3]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C)[CH2-].CCN(CC)C1=C(C=C(C=C1)C)[CH2-].CCN(CC)C1=C(C=C(C=C1)C)[CH2-].[Sc+3]

InChI

InChI=1S/3C12H18N.Sc/c3*1-5-13(6-2)12-8-7-10(3)9-11(12)4;/h3*7-9H,4-6H2,1-3H3;/q3*-1;+3