(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(2,3,4-trimethoxyphenyl)methanone Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC)OC

InChI

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