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

Systemtic Name: N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide Openeye Name: N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide CAS Name: N-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide IUPAC Name: N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide Traditional Name: N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,3,4-trimethoxybenzyl)acetamide Formula: C22H32N4O4+2 MolecularWeight: 416.51388

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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=CC=CC=[NH+]3

Isomeric SMILES

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H30N4O4/c1-24(15-17-8-9-18(28-2)22(30-4)21(17)29-3)20(27)16-25-11-13-26(14-12-25)19-7-5-6-10-23-19/h5-10H,11-16H2,1-4H3/p+2