(2-naphthalen-1-yl-4-piperidin-1-yl-butyl) 4-chloranylbenzoate hydrochloride

Systemtic Name: (2-naphthalen-1-yl-4-piperidin-1-yl-butyl) 4-chloranylbenzoate hydrochloride Openeye Name: [2-(1-naphthyl)-4-(1-piperidyl)butyl] 4-chlorobenzoate hydrochloride CAS Name: 4-chlorobenzoic acid [2-(1-naphthalenyl)-4-(1-piperidinyl)butyl] ester hydrochloride IUPAC Name: (2-naphthalen-1-yl-4-piperidin-1-ylbutyl) 4-chlorobenzoate hydrochloride Traditional Name: 4-chlorobenzoic acid [2-(1-naphthyl)-4-piperidino-butyl] ester hydrochloride Formula: C26H29Cl2NO2 MolecularWeight: 458.41996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClNO2.ClH/c27-23-13-11-21(12-14-23)26(29)30-19-22(15-18-28-16-4-1-5-17-28)25-10-6-8-20-7-2-3-9-24(20)25;/h2-3,6-14,22H,1,4-5,15-19H2;1H