4-[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-5-(4-methylphenyl)pyrimidine

Systemtic Name: 4-[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-5-(4-methylphenyl)pyrimidine Openeye Name: 4-[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-5-(p-tolyl)pyrimidine CAS Name: 4-[(3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-5-(4-methylphenyl)pyrimidine IUPAC Name: 4-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-5-(4-methylphenyl)pyrimidine Traditional Name: 4-[(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-5-(p-tolyl)pyrimidine Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)C3=NC=NC=C3C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C3=NC=NC=C3C4=CC=C(C=C4)C

InChI

InChI=1S/C23H29N5/c1-4-28-15-21(18(3)26-28)14-27-11-5-6-20(13-27)23-22(12-24-16-25-23)19-9-7-17(2)8-10-19/h7-10,12,15-16,20H,4-6,11,13-14H2,1-3H3/p+1/t20-/m0/s1