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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(quinolin-3-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl-(3-quinolylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-(3-quinolinylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl-(quinolin-3-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]-(3-quinolylmethyl)ammonium Formula: C26H35N3O4+2 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=CC=CC=C3N=C2)OCC(C[NH+]4CCC(CC4)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=CC=CC=C3N=C2)OC[C@@H](C[NH+]4CCC(CC4)O)O

InChI

InChI=1S/C26H33N3O4/c1-32-26-13-19(14-27-15-20-12-21-4-2-3-5-24(21)28-16-20)6-7-25(26)33-18-23(31)17-29-10-8-22(30)9-11-29/h2-7,12-13,16,22-23,27,30-31H,8-11,14-15,17-18H2,1H3/p+2/t23-/m1/s1