[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(naphthalen-1-ylmethyl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(naphthalen-1-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl-(1-naphthylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-(1-naphthalenylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl-(naphthalen-1-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]-(1-naphthylmethyl)ammonium Formula: C27H36N2O4+2 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC3=CC=CC=C32)OCC(C[NH+]4CCC(CC4)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC3=CC=CC=C32)OC[C@@H](C[NH+]4CCC(CC4)O)O

InChI

InChI=1S/C27H34N2O4/c1-32-27-15-20(16-28-17-22-7-4-6-21-5-2-3-8-25(21)22)9-10-26(27)33-19-24(31)18-29-13-11-23(30)12-14-29/h2-10,15,23-24,28,30-31H,11-14,16-19H2,1H3/p+2/t24-/m1/s1