(7-bromanyl-1,3-benzodioxol-5-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (7-bromanyl-1,3-benzodioxol-5-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-bromo-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-bromo-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-bromo-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C20H25BrN2O2+2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=CC3=C(C(=C2)Br)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=CC3=C(C(=C2)Br)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23BrN2O2/c21-18-10-16(11-19-20(18)25-14-24-19)12-22-17-6-8-23(9-7-17)13-15-4-2-1-3-5-15/h1-5,10-11,17,22H,6-9,12-14H2/p+2