2-(3-methyl-2-phenyl-morpholin-4-ium-4-yl)ethyl 2-phenylbutanoate chloride

Systemtic Name: 2-(3-methyl-2-phenyl-morpholin-4-ium-4-yl)ethyl 2-phenylbutanoate chloride Openeye Name: 2-(3-methyl-2-phenyl-morpholin-4-ium-4-yl)ethyl 2-phenylbutanoate chloride CAS Name: 2-phenylbutanoic acid 2-(3-methyl-2-phenyl-4-morpholin-4-iumyl)ethyl ester chloride IUPAC Name: 2-(3-methyl-2-phenylmorpholin-4-ium-4-yl)ethyl 2-phenylbutanoate chloride Traditional Name: 2-phenylbutyric acid 2-(3-methyl-2-phenyl-morpholin-4-ium-4-yl)ethyl ester chloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC[NH+]2CCOC(C2C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC[NH+]2CCOC(C2C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29NO3.ClH/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20;/h4-13,18,21-22H,3,14-17H2,1-2H3;1H