1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid

Systemtic Name: 1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid Openeye Name: 1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid CAS Name: 1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid IUPAC Name: 1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid Traditional Name: 1-butyl-1-(3,4-dichlorobenzyl)-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid Formula: C17H22Cl2NO2+ MolecularWeight: 343.26808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC=C(C1)C(=O)O)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC[N+]1(CCC=C(C1)C(=O)O)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H21Cl2NO2/c1-2-3-8-20(9-4-5-14(12-20)17(21)22)11-13-6-7-15(18)16(19)10-13/h5-7,10H,2-4,8-9,11-12H2,1H3/p+1