6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrate dihydrochloride

Systemtic Name: 6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrate dihydrochloride Openeye Name: 2-(imidazol-1-ylmethyl)tetralin-6-carboxylic acid hydrate dihydrochloride CAS Name: 6-(1-imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrate dihydrochloride IUPAC Name: 6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrate dihydrochloride Traditional Name: 2-(imidazol-1-ylmethyl)tetralin-6-carboxylic acid hydrate dihydrochloride Formula: C30H36Cl2N4O5 MolecularWeight: 603.53664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O.C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O.O.Cl.Cl

Isomeric SMILES

C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O.C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O.O.Cl.Cl

InChI

InChI=1S/2C15H16N2O2.2ClH.H2O/c2*18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-5-16-10-17;;;/h2*3-6,8,10-11H,1-2,7,9H2,(H,18,19);2*1H;1H2