1-methyl-5-phenylmethoxy-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one

Systemtic Name: 1-methyl-5-phenylmethoxy-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one Openeye Name: 5-benzyloxy-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one CAS Name: 1-methyl-2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-phenylmethoxy-4-pyridinone IUPAC Name: 1-methyl-5-phenylmethoxy-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one Traditional Name: 5-benzoxy-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4-pyridone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=O)C=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-25-16-21(30-17-18-7-3-2-4-8-18)20(28)15-19(25)23(29)27-13-11-26(12-14-27)22-9-5-6-10-24-22/h2-10,15-16H,11-14,17H2,1H3/p+1