(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ammonium CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ammonium Formula: C21H27ClN2O2+2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=CC3=C(C(=C2)Cl)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=CC3=C(C(=C2)Cl)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25ClN2O2/c22-19-12-17(13-20-21(19)26-11-10-25-20)14-23-18-6-8-24(9-7-18)15-16-4-2-1-3-5-16/h1-5,12-13,18,23H,6-11,14-15H2/p+2