2-[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]ethyl 4-propan-2-yloxybenzoate chloride

Systemtic Name: 2-[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]ethyl 4-propan-2-yloxybenzoate chloride Openeye Name: 2-[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]ethyl 4-isopropoxybenzoate chloride CAS Name: 4-propan-2-yloxybenzoic acid 2-[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]ethyl ester chloride IUPAC Name: 2-[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]ethyl 4-propan-2-yloxybenzoate chloride Traditional Name: 4-isopropoxybenzoic acid 2-[(1S,9aR)-quinolizidin-5-ium-1-yl]ethyl ester chloride Formula: C21H32ClNO3 MolecularWeight: 381.93668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCCC2CCC[NH+]3C2CCCC3.[Cl-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCC[C@@H]2CCC[NH+]3[C@@H]2CCCC3.[Cl-]

InChI

InChI=1S/C21H31NO3.ClH/c1-16(2)25-19-10-8-18(9-11-19)21(23)24-15-12-17-6-5-14-22-13-4-3-7-20(17)22;/h8-11,16-17,20H,3-7,12-15H2,1-2H3;1H/t17-,20+;/m0./s1