(3R,4R)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C18H28N2O4+2 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C[NH+]3CCC(C(C3)O)[NH+]4CCOCC4)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCOCC4)OCO2

InChI

InChI=1S/C18H26N2O4/c1-13-8-17-18(24-12-23-17)9-14(13)10-19-3-2-15(16(21)11-19)20-4-6-22-7-5-20/h8-9,15-16,21H,2-7,10-12H2,1H3/p+2/t15-,16-/m1/s1