(2-naphthalen-1-yl-4-piperidin-1-yl-butyl) 3-chloranylbenzoate hydrochloride

Systemtic Name: (2-naphthalen-1-yl-4-piperidin-1-yl-butyl) 3-chloranylbenzoate hydrochloride Openeye Name: [2-(1-naphthyl)-4-(1-piperidyl)butyl] 3-chlorobenzoate hydrochloride CAS Name: 3-chlorobenzoic acid [2-(1-naphthalenyl)-4-(1-piperidinyl)butyl] ester hydrochloride IUPAC Name: (2-naphthalen-1-yl-4-piperidin-1-ylbutyl) 3-chlorobenzoate hydrochloride Traditional Name: 3-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(=CC=C2)Cl)C3=CC=CC4=CC=CC=C43.Cl

Isomeric SMILES

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

InChI

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