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

Systemtic Name: 3-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine Openeye Name: 3-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine CAS Name: 3-methyl-4-[3-[1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]pyridine IUPAC Name: 3-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine Traditional Name: 3-methyl-4-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyridine Formula: C20H23N4+ MolecularWeight: 319.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C2=CC(=CC=C2)C3=NN(C=C3)CC4CC[NH2+]C4

Isomeric SMILES

CC1=C(C=CN=C1)C2=CC(=CC=C2)C3=NN(C=C3)C[C@H]4CC[NH2+]C4

InChI

InChI=1S/C20H22N4/c1-15-12-21-9-6-19(15)17-3-2-4-18(11-17)20-7-10-24(23-20)14-16-5-8-22-13-16/h2-4,6-7,9-12,16,22H,5,8,13-14H2,1H3/p+1/t16-/m0/s1