(6-chloranyl-1,3-benzodioxol-5-yl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-ethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]ammonium Formula: C22H36ClN3O2+2 MolecularWeight: 409.99314

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C22H34ClN3O2/c1-3-25(15-18-12-21-22(13-20(18)23)28-16-27-21)14-17-4-10-26(11-5-17)19-6-8-24(2)9-7-19/h12-13,17,19H,3-11,14-16H2,1-2H3/p+2