2-morpholin-4-ium-4-ylethyl (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: 2-morpholin-4-ium-4-ylethyl (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-phenylacetic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl (2R)-2-(azepan-1-ium-1-yl)-2-phenylacetate Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-acetic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C20H32N2O3+2 MolecularWeight: 348.47968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=CC=C2)C(=O)OCC[NH+]3CCOCC3

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)OCC[NH+]3CCOCC3

InChI

InChI=1S/C20H30N2O3/c23-20(25-17-14-21-12-15-24-16-13-21)19(18-8-4-3-5-9-18)22-10-6-1-2-7-11-22/h3-5,8-9,19H,1-2,6-7,10-17H2/p+2/t19-/m1/s1