2-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine

Systemtic Name: 2-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine Openeye Name: 2-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine CAS Name: 2-methyl-4-[3-[1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]pyrimidine IUPAC Name: 2-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine Traditional Name: 2-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine Formula: C19H22N5+ MolecularWeight: 320.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)C3=NN(C=C3)CC4CC[NH2+]C4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)C3=NN(C=C3)C[C@H]4CC[NH2+]C4

InChI

InChI=1S/C19H21N5/c1-14-21-9-6-18(22-14)16-3-2-4-17(11-16)19-7-10-24(23-19)13-15-5-8-20-12-15/h2-4,6-7,9-11,15,20H,5,8,12-13H2,1H3/p+1/t15-/m0/s1