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

Systemtic Name: 1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate hydrochloride Openeye Name: 1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate hydrochloride CAS Name: 1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate hydrochloride IUPAC Name: 1-butyl-1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate hydrochloride Traditional Name: 1-butyl-1-(3,4-dichlorobenzyl)-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate hydrochloride Formula: C17H22Cl3NO2 MolecularWeight: 378.72108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21Cl2NO2.ClH/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;1H