1-ethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,8-naphthyridin-2-one

Systemtic Name: 1-ethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,8-naphthyridin-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-ethyl-1,8-naphthyridin-2-one CAS Name: 1-ethyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1,8-naphthyridin-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-ethyl-1,8-naphthyridin-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-ethyl-1,8-naphthyridin-2-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=N2)C=C(C1=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=CC=N2)C=C(C1=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-2-26-20-18(9-6-10-23-20)15-19(22(26)28)21(27)25-13-11-24(12-14-25)16-17-7-4-3-5-8-17/h3-10,15H,2,11-14,16H2,1H3/p+1