3-[3-[1-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]quinoline

Systemtic Name: 3-[3-[1-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]quinoline Openeye Name: 3-[3-[1-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]quinoline CAS Name: 3-[3-[1-[[(3R)-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]quinoline IUPAC Name: 3-[3-[1-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]quinoline Traditional Name: 3-[3-[1-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]quinoline Formula: C23H23N4+ MolecularWeight: 355.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC1CN2C=CC(=N2)C3=CC=CC(=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1C[NH2+]C[C@@H]1CN2C=CC(=N2)C3=CC=CC(=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C23H22N4/c1-2-7-22-19(4-1)13-21(15-25-22)18-5-3-6-20(12-18)23-9-11-27(26-23)16-17-8-10-24-14-17/h1-7,9,11-13,15,17,24H,8,10,14,16H2/p+1/t17-/m1/s1