2-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(4-benzoxy-3-methoxy-benzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-28-22-16-20(8-9-21(22)29-18-19-6-3-2-4-7-19)17-26-12-14-27(15-13-26)23-24-10-5-11-25-23/h2-11,16H,12-15,17-18H2,1H3/p+1