pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 4-pyridyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 4-pyridyl-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3)OC)OC

InChI

InChI=1S/C20H25N3O4/c1-25-17-13-19(27-3)18(26-2)12-16(17)14-22-8-10-23(11-9-22)20(24)15-4-6-21-7-5-15/h4-7,12-13H,8-11,14H2,1-3H3/p+1