4-[1-(4-chlorophenyl)-1-phenyl-ethyl]-1,1-dimethyl-1,4-diazepan-1-ium

Systemtic Name: 4-[1-(4-chlorophenyl)-1-phenyl-ethyl]-1,1-dimethyl-1,4-diazepan-1-ium Openeye Name: 4-[1-(4-chlorophenyl)-1-phenyl-ethyl]-1,1-dimethyl-1,4-diazepan-1-ium CAS Name: 4-[1-(4-chlorophenyl)-1-phenylethyl]-1,1-dimethyl-1,4-diazepan-1-ium IUPAC Name: 4-[1-(4-chlorophenyl)-1-phenylethyl]-1,1-dimethyl-1,4-diazepan-1-ium Traditional Name: 4-[1-(4-chlorophenyl)-1-phenyl-ethyl]-1,1-dimethyl-1,4-diazepan-1-ium Formula: C21H28ClN2+ MolecularWeight: 343.91342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)N3CCC[N+](CC3)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)N3CCC[N+](CC3)(C)C

InChI

InChI=1S/C21H28ClN2/c1-21(18-8-5-4-6-9-18,19-10-12-20(22)13-11-19)23-14-7-16-24(2,3)17-15-23/h4-6,8-13H,7,14-17H2,1-3H3/q+1