1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N3O4/c1-26-17-14-16(15-18(27-2)21(17)28-3)7-8-20(25)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-6,9,14-15H,7-8,10-13H2,1-3H3/p+1