[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2-methylthiazol-5-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(2-methyl-5-thiazolyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(2-methylthiazol-5-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C23H36N4S+2 MolecularWeight: 400.62374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+](CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=NC=C(S1)C[NH+](C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H34N4S/c1-19-25-14-23(28-19)18-26(15-20-7-5-11-24-13-20)16-21-8-6-12-27(17-21)22-9-3-2-4-10-22/h5,7,11,13-14,21-22H,2-4,6,8-10,12,15-18H2,1H3/p+2/t21-/m1/s1