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

Systemtic Name: 3-[5-[[(3-chlorophenyl)carbonyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[5-[[(3-chlorobenzoyl)-(3-pyridylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[5-[[[(3-chlorophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]methyl]-2-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[5-[[(3-chlorobenzoyl)-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[5-[[(3-chlorobenzoyl)-(3-pyridylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C26H31ClN3O3+ MolecularWeight: 468.99564

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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=CC(=CC=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O3/c1-29(2)13-6-14-33-25-15-20(10-11-24(25)32-3)18-30(19-21-7-5-12-28-17-21)26(31)22-8-4-9-23(27)16-22/h4-5,7-12,15-17H,6,13-14,18-19H2,1-3H3/p+1