[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [4-(4-chlorobenzyl)oxy-3-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)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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