3-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidin-1-iumyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(benzofurazan-4-ylmethyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-ammonium Formula: C18H31N5O+2 MolecularWeight: 333.47164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C1CCC[NH+](C1)CC2=CC=CC3=NON=C32

Isomeric SMILES

C[NH+](C)CCCN(C)[C@H]1CCC[NH+](C1)CC2=CC=CC3=NON=C32

InChI

InChI=1S/C18H29N5O/c1-21(2)10-6-11-22(3)16-8-5-12-23(14-16)13-15-7-4-9-17-18(15)20-24-19-17/h4,7,9,16H,5-6,8,10-14H2,1-3H3/p+2/t16-/m0/s1