(5-chloranyl-2-phenylmethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (5-chloranyl-2-phenylmethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (2-benzyloxy-5-chloro-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (5-chloro-2-phenylmethoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (5-chloro-2-phenylmethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (2-benzoxy-5-chloro-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C20H27ClN2O+2 MolecularWeight: 346.89418

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C[NH2+]CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1C[NH2+]CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN2O/c21-19-6-7-20(24-15-17-4-2-1-3-5-17)18(12-19)14-23-13-16-8-10-22-11-9-16/h1-7,12,16,22-23H,8-11,13-15H2/p+2