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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,3-dimethyl-butanamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,3-dimethyl-butanamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-3,3-dimethylbutanamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-3,3-dimethylbutanamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,3-dimethyl-butyramide Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NCC(C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)CC(=O)NC[C@H](C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

InChI

InChI=1S/C19H28N2O4/c1-19(2,3)11-18(22)20-12-15(21-6-8-23-9-7-21)14-4-5-16-17(10-14)25-13-24-16/h4-5,10,15H,6-9,11-13H2,1-3H3,(H,20,22)/p+1/t15-/m1/s1