12-[(4-propan-2-ylphenyl)methyl]-1,4,7,10-tetrazacyclotridecane tetrahydrochloride

Systemtic Name: 12-[(4-propan-2-ylphenyl)methyl]-1,4,7,10-tetrazacyclotridecane tetrahydrochloride Openeye Name: 12-[(4-isopropylphenyl)methyl]-1,4,7,10-tetrazacyclotridecane tetrahydrochloride CAS Name: 12-[(4-propan-2-ylphenyl)methyl]-1,4,7,10-tetrazacyclotridecane tetrahydrochloride IUPAC Name: 12-[(4-propan-2-ylphenyl)methyl]-1,4,7,10-tetrazacyclotridecane tetrahydrochloride Traditional Name: 12-(4-isopropylbenzyl)-1,4,7,10-tetrazacyclotridecane tetrahydrochloride Formula: C19H38Cl4N4 MolecularWeight: 464.34382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2CNCCNCCNCCNC2.Cl.Cl.Cl.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2CNCCNCCNCCNC2.Cl.Cl.Cl.Cl

InChI

InChI=1S/C19H34N4.4ClH/c1-16(2)19-5-3-17(4-6-19)13-18-14-22-11-9-20-7-8-21-10-12-23-15-18;;;;/h3-6,16,18,20-23H,7-15H2,1-2H3;4*1H