(2-naphthalen-1-yl-4-piperidin-1-yl-butyl) 2,4-bis(chloranyl)benzoate hydrochloride

Systemtic Name: (2-naphthalen-1-yl-4-piperidin-1-yl-butyl) 2,4-bis(chloranyl)benzoate hydrochloride Openeye Name: [2-(1-naphthyl)-4-(1-piperidyl)butyl] 2,4-dichlorobenzoate hydrochloride CAS Name: 2,4-dichlorobenzoic acid [2-(1-naphthalenyl)-4-(1-piperidinyl)butyl] ester hydrochloride IUPAC Name: (2-naphthalen-1-yl-4-piperidin-1-ylbutyl) 2,4-dichlorobenzoate hydrochloride Traditional Name: 2,4-dichlorobenzoic acid [2-(1-naphthyl)-4-piperidino-butyl] ester hydrochloride Formula: C26H28Cl3NO2 MolecularWeight: 492.86502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC4=CC=CC=C43.Cl

Isomeric SMILES

C1CCN(CC1)CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC4=CC=CC=C43.Cl

InChI

InChI=1S/C26H27Cl2NO2.ClH/c27-21-11-12-24(25(28)17-21)26(30)31-18-20(13-16-29-14-4-1-5-15-29)23-10-6-8-19-7-2-3-9-22(19)23;/h2-3,6-12,17,20H,1,4-5,13-16,18H2;1H