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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]butanamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]butanamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]butanamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]butyramide Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-2-3-17(20)18-11-14(19-6-8-21-9-7-19)13-4-5-15-16(10-13)23-12-22-15/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,18,20)/p+1/t14-/m1/s1