4,6-dimethoxy-2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]pyrimidine

Systemtic Name: 4,6-dimethoxy-2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]pyrimidine Openeye Name: 4,6-dimethoxy-2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]pyrimidine CAS Name: 4,6-dimethoxy-2-[(R)-phenyl(1-piperazin-4-iumyl)methyl]pyrimidine IUPAC Name: 4,6-dimethoxy-2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]pyrimidine Traditional Name: 4,6-dimethoxy-2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]pyrimidine Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)N3CC[NH2+]CC3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)[C@@H](C2=CC=CC=C2)N3CC[NH2+]CC3)OC

InChI

InChI=1S/C17H22N4O2/c1-22-14-12-15(23-2)20-17(19-14)16(13-6-4-3-5-7-13)21-10-8-18-9-11-21/h3-7,12,16,18H,8-11H2,1-2H3/p+1/t16-/m1/s1