5-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine

Systemtic Name: 5-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine Openeye Name: 5-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine CAS Name: 5-[3-[1-[2-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]-3-pyrazolyl]phenyl]pyrimidine IUPAC Name: 5-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine Traditional Name: 5-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrimidine Formula: C20H24N5+ MolecularWeight: 334.43806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCN2C=CC(=N2)C3=CC=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

C[NH+]1CCC[C@H]1CCN2C=CC(=N2)C3=CC=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C20H23N5/c1-24-9-3-6-19(24)7-10-25-11-8-20(23-25)17-5-2-4-16(12-17)18-13-21-15-22-14-18/h2,4-5,8,11-15,19H,3,6-7,9-10H2,1H3/p+1/t19-/m0/s1