3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride

Systemtic Name: 3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride Openeye Name: 3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride CAS Name: 4-(1-cyclohex-2-enyloxy)benzoic acid 3-(2-methyl-1-pyrrolidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride Traditional Name: 4-cyclohex-2-en-1-yloxybenzoic acid 3-(2-methylpyrrolidin-1-ium-1-yl)propyl ester chloride Formula: C21H30ClNO3 MolecularWeight: 379.9208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OC3CCCC=C3.[Cl-]

Isomeric SMILES

CC1CCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OC3CCCC=C3.[Cl-]

InChI

InChI=1S/C21H29NO3.ClH/c1-17-7-5-14-22(17)15-6-16-24-21(23)18-10-12-20(13-11-18)25-19-8-3-2-4-9-19;/h3,8,10-13,17,19H,2,4-7,9,14-16H2,1H3;1H