[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-ethylimidazol-2-yl)methyl]-(pyridin-3-ylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+](CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CCN1C=CN=C1C[NH+](C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C24H37N5/c1-2-28-15-13-26-24(28)20-27(17-21-8-6-12-25-16-21)18-22-9-7-14-29(19-22)23-10-4-3-5-11-23/h6,8,12-13,15-16,22-23H,2-5,7,9-11,14,17-20H2,1H3/p+2/t22-/m1/s1