(phenylmethyl) N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]carbamate Openeye Name: benzyl N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]carbamate CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]carbamate Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]carbamic acid benzyl ester Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)OCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)OCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O5/c24-21(26-14-16-4-2-1-3-5-16)22-13-18(23-8-10-25-11-9-23)17-6-7-19-20(12-17)28-15-27-19/h1-7,12,18H,8-11,13-15H2,(H,22,24)/p+1/t18-/m1/s1