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

Systemtic Name: phenyl N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]carbamate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)OC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)OC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5/c23-20(27-16-4-2-1-3-5-16)21-13-17(22-8-10-24-11-9-22)15-6-7-18-19(12-15)26-14-25-18/h1-7,12,17H,8-11,13-14H2,(H,21,23)/p+1/t17-/m1/s1