2-[[(3S)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C18H30ClN3O2+2 MolecularWeight: 355.9027

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C1CCC[NH+](C1)CC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

C[NH+](C)CCN(C)[C@H]1CCC[NH+](C1)CC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C18H28ClN3O2/c1-20(2)7-8-21(3)15-5-4-6-22(12-15)11-14-9-17-18(10-16(14)19)24-13-23-17/h9-10,15H,4-8,11-13H2,1-3H3/p+2/t15-/m0/s1