1-ethyl-7-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,8-naphthyridin-4-one

Systemtic Name: 1-ethyl-7-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,8-naphthyridin-4-one Openeye Name: 1-ethyl-7-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,8-naphthyridin-4-one CAS Name: 1-ethyl-7-methyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,8-naphthyridin-4-one IUPAC Name: 1-ethyl-7-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,8-naphthyridin-4-one Traditional Name: 1-ethyl-7-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,8-naphthyridin-4-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23N5O2/c1-3-24-14-17(19(27)16-8-7-15(2)23-20(16)24)21(28)26-12-10-25(11-13-26)18-6-4-5-9-22-18/h4-9,14H,3,10-13H2,1-2H3/p+1