1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane-1,4-diium dichloride

Systemtic Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane-1,4-diium dichloride Openeye Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane-1,4-diium dichloride CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane-1,4-diium dichloride IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane-1,4-diium dichloride Traditional Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane-1,4-diium dichloride Formula: C19H25Cl3N2 MolecularWeight: 387.7742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C19H23ClN2.2ClH/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;;/h2-4,6-11,19H,5,12-15H2,1H3;2*1H