[3-[1-(2,3-dimethoxyphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl-(furan-3-ylmethyl)-methyl-azanium

Systemtic Name: [3-[1-(2,3-dimethoxyphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl-(furan-3-ylmethyl)-methyl-azanium Openeye Name: [3-[[1-(2,3-dimethoxybenzoyl)-4-piperidyl]oxy]phenyl]methyl-(3-furylmethyl)-methyl-ammonium CAS Name: [3-[[1-[(2,3-dimethoxyphenyl)-oxomethyl]-4-piperidinyl]oxy]phenyl]methyl-(3-furanylmethyl)-methylammonium IUPAC Name: [3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]oxyphenyl]methyl-(furan-3-ylmethyl)-methylazanium Traditional Name: 3-furfuryl-methyl-[3-[(1-o-veratroyl-4-piperidyl)oxy]benzyl]ammonium Formula: C27H33N2O5+ MolecularWeight: 465.56132

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)C3=C(C(=CC=C3)OC)OC)CC4=COC=C4

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)C3=C(C(=CC=C3)OC)OC)CC4=COC=C4

InChI

InChI=1S/C27H32N2O5/c1-28(18-21-12-15-33-19-21)17-20-6-4-7-23(16-20)34-22-10-13-29(14-11-22)27(30)24-8-5-9-25(31-2)26(24)32-3/h4-9,12,15-16,19,22H,10-11,13-14,17-18H2,1-3H3/p+1