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

Systemtic Name: 2-[2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine Openeye Name: 2-[2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine CAS Name: 2-[2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]pyrimidine IUPAC Name: 2-[2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine Traditional Name: 2-[2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C20H23N5O/c1-26-19-8-3-2-7-18(19)24-14-12-23(13-15-24)16-17-6-4-11-25(17)20-21-9-5-10-22-20/h2-11H,12-16H2,1H3/p+1