2-(2-butoxy-3-methoxy-phenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride

Systemtic Name: 2-(2-butoxy-3-methoxy-phenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride Openeye Name: 2-(2-butoxy-3-methoxy-phenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]ammonium chloride CAS Name: bis[2-[anilino(oxo)methoxy]ethyl]-[2-(2-butoxy-3-methoxyphenyl)ethyl]ammonium chloride IUPAC Name: 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride Traditional Name: 2-(2-butoxy-3-methoxy-phenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]ammonium chloride Formula: C31H40ClN3O6 MolecularWeight: 586.1188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC=C1OC)CC[NH+](CCOC(=O)NC2=CC=CC=C2)CCOC(=O)NC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCOC1=C(C=CC=C1OC)CC[NH+](CCOC(=O)NC2=CC=CC=C2)CCOC(=O)NC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C31H39N3O6.ClH/c1-3-4-22-38-29-25(12-11-17-28(29)37-2)18-19-34(20-23-39-30(35)32-26-13-7-5-8-14-26)21-24-40-31(36)33-27-15-9-6-10-16-27;/h5-17H,3-4,18-24H2,1-2H3,(H,32,35)(H,33,36);1H