3-(2-methylpyrrolidin-1-yl)propyl 2,6-dimethyl-4-propoxy-benzoate chloride

Systemtic Name: 3-(2-methylpyrrolidin-1-yl)propyl 2,6-dimethyl-4-propoxy-benzoate chloride Openeye Name: 3-(2-methylpyrrolidin-1-yl)propyl 2,6-dimethyl-4-propoxy-benzoate chloride CAS Name: 2,6-dimethyl-4-propoxybenzoic acid 3-(2-methyl-1-pyrrolidinyl)propyl ester chloride IUPAC Name: 3-(2-methylpyrrolidin-1-yl)propyl 2,6-dimethyl-4-propoxybenzoate chloride Traditional Name: 2,6-dimethyl-4-propoxy-benzoic acid 3-(2-methylpyrrolidino)propyl ester chloride Formula: C20H31ClNO3- MolecularWeight: 368.91804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C(=C1)C)C(=O)OCCCN2CCCC2C)C.[Cl-]

Isomeric SMILES

CCCOC1=CC(=C(C(=C1)C)C(=O)OCCCN2CCCC2C)C.[Cl-]

InChI

InChI=1S/C20H31NO3.ClH/c1-5-11-23-18-13-15(2)19(16(3)14-18)20(22)24-12-7-10-21-9-6-8-17(21)4;/h13-14,17H,5-12H2,1-4H3;1H/p-1