[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-morpholin-4-ium-4-yl-propyl]azanium

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-morpholin-4-ium-4-yl-propyl]azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-morpholin-4-ium-4-yl-propyl]ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-morpholin-4-ium-4-ylpropyl]azanium Traditional Name: [(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-2-(morpholin-4-ium-4-ylmethyl)propyl]ammonium Formula: C16H26N2O3+2 MolecularWeight: 294.38924

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)(C[NH3+])C[NH+]3CCOCC3

Isomeric SMILES

C[C@](CC1=CC2=C(C=C1)OCO2)(C[NH3+])C[NH+]3CCOCC3

InChI

InChI=1S/C16H24N2O3/c1-16(10-17,11-18-4-6-19-7-5-18)9-13-2-3-14-15(8-13)21-12-20-14/h2-3,8H,4-7,9-12,17H2,1H3/p+2/t16-/m0/s1