2-[(4-chlorophenyl)methyl-pyridin-1-ium-2-yl-amino]ethyl-ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-chlorophenyl)methyl-pyridin-1-ium-2-yl-amino]ethyl-ethyl-dimethyl-azanium Openeye Name: 2-[(4-chlorophenyl)methyl-pyridin-1-ium-2-yl-amino]ethyl-ethyl-dimethyl-ammonium CAS Name: 2-[(4-chlorophenyl)methyl-(2-pyridin-1-iumyl)amino]ethyl-ethyl-dimethylammonium IUPAC Name: 2-[(4-chlorophenyl)methyl-pyridin-1-ium-2-ylamino]ethyl-ethyl-dimethylazanium Traditional Name: 2-[(4-chlorobenzyl)-pyridin-1-ium-2-yl-amino]ethyl-ethyl-dimethyl-ammonium Formula: C18H26ClN3+2 MolecularWeight: 319.87214

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=[NH+]2

Isomeric SMILES

CC[N+](C)(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=[NH+]2

InChI

InChI=1S/C18H25ClN3/c1-4-22(2,3)14-13-21(18-7-5-6-12-20-18)15-16-8-10-17(19)11-9-16/h5-12H,4,13-15H2,1-3H3/q+1/p+1