ethanedioate; 6-(1-imidazol-1-yl-2-methyl-propyl)-1,2,3,4-tetrahydroquinoxaline

Systemtic Name: ethanedioate; 6-(1-imidazol-1-yl-2-methyl-propyl)-1,2,3,4-tetrahydroquinoxaline Openeye Name: 6-(1-imidazol-1-yl-2-methyl-propyl)-1,2,3,4-tetrahydroquinoxaline; oxalate CAS Name: 6-[1-(1-imidazolyl)-2-methylpropyl]-1,2,3,4-tetrahydroquinoxaline; oxalate IUPAC Name: 6-(1-imidazol-1-yl-2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline; oxalate Traditional Name: 6-(1-imidazol-1-yl-2-methyl-propyl)-1,2,3,4-tetrahydroquinoxaline; oxalate Formula: C40H40N8O20-10 MolecularWeight: 952.7872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)NCCN2)N3C=CN=C3.CC(C)C(C1=CC2=C(C=C1)NCCN2)N3C=CN=C3.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)NCCN2)N3C=CN=C3.CC(C)C(C1=CC2=C(C=C1)NCCN2)N3C=CN=C3.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C15H20N4.5C2H2O4/c2*1-11(2)15(19-8-7-16-10-19)12-3-4-13-14(9-12)18-6-5-17-13;5*3-1(4)2(5)6/h2*3-4,7-11,15,17-18H,5-6H2,1-2H3;5*(H,3,4)(H,5,6)/p-10