4-(1,3-dimethylpyrazol-4-yl)-2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 4-(1,3-dimethylpyrazol-4-yl)-2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 4-(1,3-dimethylpyrazol-4-yl)-2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 4-(1,3-dimethyl-4-pyrazolyl)-2-(4-phenethyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(1,3-dimethylpyrazol-4-yl)-2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 4-(1,3-dimethylpyrazol-4-yl)-2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)N3CC[NH+](CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)N3CC[NH+](CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C21H26N6/c1-17-19(16-25(2)24-17)20-8-10-22-21(23-20)27-14-12-26(13-15-27)11-9-18-6-4-3-5-7-18/h3-8,10,16H,9,11-15H2,1-2H3/p+1