[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [(2R)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl ester IUPAC Name: [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl ester Formula: C23H29ClNO5+ MolecularWeight: 434.93306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC2C[NH+](CCO2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H28ClNO5/c1-16(2)30-22-20(24)11-18(12-21(22)27-3)23(26)29-15-19-14-25(9-10-28-19)13-17-7-5-4-6-8-17/h4-8,11-12,16,19H,9-10,13-15H2,1-3H3/p+1/t19-/m1/s1