4-methoxy-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 4-methoxy-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 4-methoxy-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 4-methoxy-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 4-methoxy-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 4-methoxy-2-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C3=NC=CC(=N3)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C3=NC=CC(=N3)OC)OC)OC

InChI

InChI=1S/C19H26N4O4/c1-24-15-6-5-14(17(26-3)18(15)27-4)13-22-9-11-23(12-10-22)19-20-8-7-16(21-19)25-2/h5-8H,9-13H2,1-4H3/p+1