[(1R,2R,3R)-2,3-dimethylcyclohexyl]-(1-phenethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1R,2R,3R)-2,3-dimethylcyclohexyl]-(1-phenethylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1R,2R,3R)-2,3-dimethylcyclohexyl]-(1-phenethylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1R,2R,3R)-2,3-dimethylcyclohexyl]-(1-phenethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1R,2R,3R)-2,3-dimethylcyclohexyl]-(1-phenethylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1R,2R,3R)-2,3-dimethylcyclohexyl]-(1-phenethylpiperidin-1-ium-4-yl)ammonium Formula: C21H36N2+2 MolecularWeight: 316.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@@H]1C)[NH2+]C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H34N2/c1-17-7-6-10-21(18(17)2)22-20-12-15-23(16-13-20)14-11-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-22H,6-7,10-16H2,1-2H3/p+2/t17-,18-,21-/m1/s1