2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(5-quinolyl)acetamide CAS Name: 2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-quinolin-5-ylacetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(5-quinolyl)acetamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC(=O)NC2=CC=CC3=C2C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)CC(=O)NC2=CC=CC3=C2C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c28-23(25-22-11-4-10-21-20(22)9-5-12-24-21)18-27-14-6-13-26(15-16-27)17-19-7-2-1-3-8-19/h1-5,7-12H,6,13-18H2,(H,25,28)/p+1