2-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-4-(1-methylpyrazol-4-yl)pyrimidine

Systemtic Name: 2-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-4-(1-methylpyrazol-4-yl)pyrimidine Openeye Name: 2-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-4-(1-methylpyrazol-4-yl)pyrimidine CAS Name: 2-[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]-4-(1-methyl-4-pyrazolyl)pyrimidine IUPAC Name: 2-[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]-4-(1-methylpyrazol-4-yl)pyrimidine Traditional Name: 2-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-4-(1-methylpyrazol-4-yl)pyrimidine Formula: C15H23N6+ MolecularWeight: 287.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)C2=NC=CC(=N2)C3=CN(N=C3)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C)C2=NC=CC(=N2)C3=CN(N=C3)C

InChI

InChI=1S/C15H22N6/c1-4-13-11-21(8-7-19(13)2)15-16-6-5-14(18-15)12-9-17-20(3)10-12/h5-6,9-10,13H,4,7-8,11H2,1-3H3/p+1/t13-/m0/s1