[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(quinolin-2-ylmethyl)azanium

Systemtic Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(quinolin-2-ylmethyl)azanium Openeye Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(2-quinolylmethyl)ammonium CAS Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl-methyl-(2-quinolinylmethyl)ammonium IUPAC Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(quinolin-2-ylmethyl)azanium Traditional Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(2-quinolylmethyl)ammonium Formula: C26H35N3O+2 MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCC[NH+](C1)CCC2=CC=C(C=C2)OC)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](C[C@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)OC)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H33N3O/c1-28(20-24-12-11-23-7-3-4-8-26(23)27-24)18-22-6-5-16-29(19-22)17-15-21-9-13-25(30-2)14-10-21/h3-4,7-14,22H,5-6,15-20H2,1-2H3/p+2/t22-/m1/s1