4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium

Systemtic Name: 4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium Openeye Name: 4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium CAS Name: 4-[(3R)-1-methyl-3-pyrrolidin-1-iumyl]-1-[[3-(1-pyrazolyl)phenyl]methyl]piperidin-1-ium IUPAC Name: 4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium Traditional Name: 4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium Formula: C20H30N4+2 MolecularWeight: 326.479

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1)C2CC[NH+](CC2)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C[NH+]1CC[C@@H](C1)C2CC[NH+](CC2)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C20H28N4/c1-22-11-6-19(16-22)18-7-12-23(13-8-18)15-17-4-2-5-20(14-17)24-10-3-9-21-24/h2-5,9-10,14,18-19H,6-8,11-13,15-16H2,1H3/p+2/t19-/m0/s1