2-[4-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(1-oxo-2H-isoquinoline-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(1-oxo-2H-isoquinoline-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(1-keto-2H-isoquinoline-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H24N4O3/c28-21(24-15-17-6-2-1-3-7-17)16-26-10-12-27(13-11-26)23(30)20-14-18-8-4-5-9-19(18)22(29)25-20/h1-9,14H,10-13,15-16H2,(H,24,28)(H,25,29)/p+1