[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropyl)-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropyl)-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[3-(1-pyrazolyl)propyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropyl)-(3-pyridylmethyl)ammonium Formula: C24H39N5+2 MolecularWeight: 397.59996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CCCN3C=CC=N3)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CCCN3C=CC=N3)CC4=CN=CC=C4

InChI

InChI=1S/C24H37N5/c1-2-10-24(11-3-1)28-15-5-9-23(21-28)20-27(19-22-8-4-12-25-18-22)14-7-17-29-16-6-13-26-29/h4,6,8,12-13,16,18,23-24H,1-3,5,7,9-11,14-15,17,19-21H2/p+2/t23-/m1/s1