(4-pyridin-1-ium-4-ylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone Openeye Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone CAS Name: [4-(4-pyridin-1-iumyl)-1-piperazinyl]-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone Traditional Name: asaryl-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC)OC

InChI

InChI=1S/C19H23N3O4/c1-24-16-13-18(26-3)17(25-2)12-15(16)19(23)22-10-8-21(9-11-22)14-4-6-20-7-5-14/h4-7,12-13H,8-11H2,1-3H3/p+1