4-(1,3-dimethylpyrazol-4-yl)-2-[4-(4-methoxybutyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(4-methoxybutyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(4-methoxybutyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 4-(1,3-dimethyl-4-pyrazolyl)-2-[4-(4-methoxybutyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(4-methoxybutyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(4-methoxybutyl)piperazin-4-ium-1-yl]pyrimidine Formula: C18H29N6O+ MolecularWeight: 345.46246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)N3CC[NH+](CC3)CCCCOC)C

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)N3CC[NH+](CC3)CCCCOC)C

InChI

InChI=1S/C18H28N6O/c1-15-16(14-22(2)21-15)17-6-7-19-18(20-17)24-11-9-23(10-12-24)8-4-5-13-25-3/h6-7,14H,4-5,8-13H2,1-3H3/p+1