3-[5-[[(2,5-dimethoxyphenyl)carbonyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[5-[[(2,5-dimethoxyphenyl)carbonyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[5-[[(2,5-dimethoxybenzoyl)-(3-pyridylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[5-[[[(2,5-dimethoxyphenyl)-oxomethyl]-(3-pyridinylmethyl)amino]methyl]-2-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[5-[[(2,5-dimethoxybenzoyl)-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[5-[[(2,5-dimethoxybenzoyl)-(3-pyridylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C28H36N3O5+ MolecularWeight: 494.60254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC(=C1)CN(CC2=CN=CC=C2)C(=O)C3=C(C=CC(=C3)OC)OC)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC(=C1)CN(CC2=CN=CC=C2)C(=O)C3=C(C=CC(=C3)OC)OC)OC

InChI

InChI=1S/C28H35N3O5/c1-30(2)14-7-15-36-27-16-21(9-11-26(27)35-5)19-31(20-22-8-6-13-29-18-22)28(32)24-17-23(33-3)10-12-25(24)34-4/h6,8-13,16-18H,7,14-15,19-20H2,1-5H3/p+1