2-[2-chloranyl-6-methoxy-4-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]phenoxy]ethanamide

Systemtic Name: 2-[2-chloranyl-6-methoxy-4-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]phenoxy]ethanamide Openeye Name: 2-[4-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-2-chloro-6-methoxy-phenoxy]acetamide CAS Name: 2-[2-chloro-6-methoxy-4-[oxo-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]phenoxy]acetamide IUPAC Name: 2-[4-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-2-chloro-6-methoxyphenoxy]acetamide Traditional Name: 2-[4-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-2-chloro-6-methoxy-phenoxy]acetamide Formula: C22H27ClN3O4+ MolecularWeight: 432.92048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)Cl)OCC(=O)N

InChI

InChI=1S/C22H26ClN3O4/c1-29-19-13-17(12-18(23)21(19)30-15-20(24)27)22(28)26-9-5-8-25(10-11-26)14-16-6-3-2-4-7-16/h2-4,6-7,12-13H,5,8-11,14-15H2,1H3,(H2,24,27)/p+1