1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepan-4-ium chloride

Systemtic Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepan-4-ium chloride Openeye Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepan-4-ium chloride CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepan-4-ium chloride IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepan-4-ium chloride Traditional Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepan-4-ium chloride Formula: C19H24Cl2N2 MolecularWeight: 351.31326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2.ClH/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;1H