3-chloranyl-2-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine

Systemtic Name: 3-chloranyl-2-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine Openeye Name: 3-chloro-2-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine CAS Name: 3-chloro-2-[3-[1-[[(3S)-1-methyl-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]pyridine IUPAC Name: 3-chloro-2-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine Traditional Name: 3-chloro-2-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine Formula: C20H22ClN4+ MolecularWeight: 353.86848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=C(C=CC=N4)Cl

Isomeric SMILES

C[NH+]1CC[C@@H](C1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C20H21ClN4/c1-24-10-7-15(13-24)14-25-11-8-19(23-25)16-4-2-5-17(12-16)20-18(21)6-3-9-22-20/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3/p+1/t15-/m0/s1