[1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-propyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxypropyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxypropyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-propyl]piperidin-1-ium-4-yl]ammonium Formula: C16H26N2O3+2 MolecularWeight: 294.38924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH3+])CCC(C2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

C1C[NH+](CCC1[NH3+])CC[C@@H](C2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C16H24N2O3/c17-13-3-6-18(7-4-13)8-5-14(19)12-1-2-15-16(11-12)21-10-9-20-15/h1-2,11,13-14,19H,3-10,17H2/p+2/t14-/m0/s1