2-[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(2-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(2-phenoxybenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2OC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2OC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C21H22N4O/c1-2-8-19(9-3-1)26-20-10-5-4-7-18(20)17-24-13-15-25(16-14-24)21-22-11-6-12-23-21/h1-12H,13-17H2/p+1