5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine

Systemtic Name: 5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine Openeye Name: 5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine CAS Name: 5-[3-[1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]pyrimidine IUPAC Name: 5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine Traditional Name: 5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine Formula: C18H20N5+ MolecularWeight: 306.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC1CN2C=CC(=N2)C3=CC=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

C1C[NH2+]C[C@H]1CN2C=CC(=N2)C3=CC=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C18H19N5/c1-2-15(17-10-20-13-21-11-17)8-16(3-1)18-5-7-23(22-18)12-14-4-6-19-9-14/h1-3,5,7-8,10-11,13-14,19H,4,6,9,12H2/p+1/t14-/m0/s1