2-methyl-4-[3-[4-(3-pyrazol-1-ylazetidin-1-ium-1-yl)piperidin-1-yl]phenyl]pyrimidine

Systemtic Name: 2-methyl-4-[3-[4-(3-pyrazol-1-ylazetidin-1-ium-1-yl)piperidin-1-yl]phenyl]pyrimidine Openeye Name: 2-methyl-4-[3-[4-(3-pyrazol-1-ylazetidin-1-ium-1-yl)-1-piperidyl]phenyl]pyrimidine CAS Name: 2-methyl-4-[3-[4-[3-(1-pyrazolyl)-1-azetidin-1-iumyl]-1-piperidinyl]phenyl]pyrimidine IUPAC Name: 2-methyl-4-[3-[4-(3-pyrazol-1-ylazetidin-1-ium-1-yl)piperidin-1-yl]phenyl]pyrimidine Traditional Name: 2-methyl-4-[3-[4-(3-pyrazol-1-ylazetidin-1-ium-1-yl)piperidino]phenyl]pyrimidine Formula: C22H27N6+ MolecularWeight: 375.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CC(C4)N5C=CC=N5

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CC(C4)N5C=CC=N5

InChI

InChI=1S/C22H26N6/c1-17-23-10-6-22(25-17)18-4-2-5-20(14-18)26-12-7-19(8-13-26)27-15-21(16-27)28-11-3-9-24-28/h2-6,9-11,14,19,21H,7-8,12-13,15-16H2,1H3/p+1