4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(3-benzoxybenzyl)-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CCC1=O)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COCCN1CC[NH+](CCC1=O)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-26-15-14-24-13-12-23(11-10-22(24)25)17-20-8-5-9-21(16-20)27-18-19-6-3-2-4-7-19/h2-9,16H,10-15,17-18H2,1H3/p+1