[3-chloranyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [3-chloro-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [3-chloro-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C22H31ClN2O2+2 MolecularWeight: 390.94674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C[NH2+]CC3CC[NH2+]CC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C[NH2+]CC3CC[NH2+]CC3)OC

InChI

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