1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-N,N-dimethyl-methanamine hydrochloride

Systemtic Name: 1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-N,N-dimethyl-methanamine hydrochloride Openeye Name: 1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-N,N-dimethyl-methanamine hydrochloride CAS Name: 1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-N,N-dimethylmethanamine hydrochloride IUPAC Name: 1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-N,N-dimethylmethanamine hydrochloride Traditional Name: [5-(4-chlorobenzyl)-1-benzothiepin-4-yl]methyl-dimethyl-amine hydrochloride Formula: C20H21Cl2NS MolecularWeight: 378.35844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=CC=CC=C2SC=C1)CC3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

CN(C)CC1=C(C2=CC=CC=C2SC=C1)CC3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C20H20ClNS.ClH/c1-22(2)14-16-11-12-23-20-6-4-3-5-18(20)19(16)13-15-7-9-17(21)10-8-15;/h3-12H,13-14H2,1-2H3;1H