2-[4-cyclohexyl-4-(3-methoxyphenyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-cyclohexyl-4-(3-methoxyphenyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-cyclohexyl-4-(3-methoxyphenyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-cyclohexyl-4-(3-methoxyphenyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-cyclohexyl-4-(3-methoxyphenyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-cyclohexyl-4-(3-methoxyphenyl)piperazin-4-ium-1-yl]pyrimidine Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)[N+]2(CCN(CC2)C3=NC=CC=N3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[N+]2(CCN(CC2)C3=NC=CC=N3)C4CCCCC4

InChI

InChI=1S/C21H29N4O/c1-26-20-10-5-9-19(17-20)25(18-7-3-2-4-8-18)15-13-24(14-16-25)21-22-11-6-12-23-21/h5-6,9-12,17-18H,2-4,7-8,13-16H2,1H3/q+1