1-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-3-[(phenylmethyl)carbamoyl]naphthalen-2-olate

Systemtic Name: 1-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-3-[(phenylmethyl)carbamoyl]naphthalen-2-olate Openeye Name: 3-(benzylcarbamoyl)-1-[(3-oxopiperazin-1-ium-1-yl)methyl]naphthalen-2-olate CAS Name: 3-[oxo-[(phenylmethyl)amino]methyl]-1-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-naphthalenolate IUPAC Name: 3-(benzylcarbamoyl)-1-[(3-oxopiperazin-1-ium-1-yl)methyl]naphthalen-2-olate Traditional Name: 3-(benzylcarbamoyl)-1-[(3-ketopiperazin-1-ium-1-yl)methyl]naphthalen-2-olate Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=C(C(=CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=C(C(=CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C23H23N3O3/c27-21-15-26(11-10-24-21)14-20-18-9-5-4-8-17(18)12-19(22(20)28)23(29)25-13-16-6-2-1-3-7-16/h1-9,12,28H,10-11,13-15H2,(H,24,27)(H,25,29)