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

Systemtic Name: butyl-[2-[(4-chlorophenyl)methyl-pyridin-1-ium-2-yl-amino]ethyl]-dimethyl-azanium Openeye Name: butyl-[2-[(4-chlorophenyl)methyl-pyridin-1-ium-2-yl-amino]ethyl]-dimethyl-ammonium CAS Name: butyl-[2-[(4-chlorophenyl)methyl-(2-pyridin-1-iumyl)amino]ethyl]-dimethylammonium IUPAC Name: butyl-[2-[(4-chlorophenyl)methyl-pyridin-1-ium-2-ylamino]ethyl]-dimethylazanium Traditional Name: butyl-[2-[(4-chlorobenzyl)-pyridin-1-ium-2-yl-amino]ethyl]-dimethyl-ammonium Formula: C20H30ClN3+2 MolecularWeight: 347.9253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN3/c1-4-5-15-24(2,3)16-14-23(20-8-6-7-13-22-20)17-18-9-11-19(21)12-10-18/h6-13H,4-5,14-17H2,1-3H3/q+1/p+1