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

Systemtic Name: 1-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,8-naphthyridin-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-methyl-1,8-naphthyridin-2-one CAS Name: 1-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1,8-naphthyridin-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-methyl-1,8-naphthyridin-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-methyl-1,8-naphthyridin-2-one Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=N2)C=C(C1=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=CC=N2)C=C(C1=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c1-23-19-17(8-5-9-22-19)14-18(20(23)26)21(27)25-12-10-24(11-13-25)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3/p+1