N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide Openeye Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide CAS Name: N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide IUPAC Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide Traditional Name: N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(2,3,4-trimethoxybenzyl)acetamide Formula: C21H30N5O4+ MolecularWeight: 416.494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O4/c1-24(14-16-6-7-17(28-2)20(30-4)19(16)29-3)18(27)15-25-10-12-26(13-11-25)21-22-8-5-9-23-21/h5-9H,10-15H2,1-4H3/p+1