1-[2-oxidanylidene-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethyl]pyridin-2-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethyl]pyridin-2-one Openeye Name: 1-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethyl]pyridin-2-one CAS Name: 1-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethyl]-2-pyridinone IUPAC Name: 1-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethyl]pyridin-2-one Traditional Name: 1-[2-keto-2-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]ethyl]-2-pyridone Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C=CC=CC3=O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C=CC=CC3=O)OC)OC

InChI

InChI=1S/C21H27N3O5/c1-27-17-8-7-16(20(28-2)21(17)29-3)14-22-10-12-23(13-11-22)19(26)15-24-9-5-4-6-18(24)25/h4-9H,10-15H2,1-3H3/p+1