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

Systemtic Name: (3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C22H31ClN2O2+2 MolecularWeight: 390.94674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN2O2/c1-2-26-21-13-19(15-25-14-17-8-10-24-11-9-17)12-20(23)22(21)27-16-18-6-4-3-5-7-18/h3-7,12-13,17,24-25H,2,8-11,14-16H2,1H3/p+2