1-butyl-1-pyrrolidin-3-yl-xanthene-9-carboxylate hydrochloride

Systemtic Name: 1-butyl-1-pyrrolidin-3-yl-xanthene-9-carboxylate hydrochloride Openeye Name: 1-butyl-1-pyrrolidin-3-yl-xanthene-9-carboxylate hydrochloride CAS Name: 1-butyl-1-(3-pyrrolidinyl)-9-xanthenecarboxylate hydrochloride IUPAC Name: 1-butyl-1-pyrrolidin-3-ylxanthene-9-carboxylate hydrochloride Traditional Name: 1-butyl-1-pyrrolidin-3-yl-xanthene-9-carboxylate hydrochloride Formula: C22H25ClNO3- MolecularWeight: 386.8918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC=C2C1=C(C3=CC=CC=C3O2)C(=O)[O-])C4CCNC4.Cl

Isomeric SMILES

CCCCC1(C=CC=C2C1=C(C3=CC=CC=C3O2)C(=O)[O-])C4CCNC4.Cl

InChI

InChI=1S/C22H25NO3.ClH/c1-2-3-11-22(15-10-13-23-14-15)12-6-9-18-20(22)19(21(24)25)16-7-4-5-8-17(16)26-18;/h4-9,12,15,23H,2-3,10-11,13-14H2,1H3,(H,24,25);1H/p-1