N-(4-morpholin-4-ylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(4-morpholinophenyl)acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(4-morpholinophenyl)acetamide Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O2/c29-24(25-22-7-9-23(10-8-22)28-15-17-30-18-16-28)20-27-12-4-11-26(13-14-27)19-21-5-2-1-3-6-21/h1-3,5-10H,4,11-20H2,(H,25,29)/p+1