(1R,5S)-3,3,5-trimethyl-7-(1-phenethylpiperidin-1-ium-4-yl)-7-azoniabicyclo[3.2.1]octane

Systemtic Name: (1R,5S)-3,3,5-trimethyl-7-(1-phenethylpiperidin-1-ium-4-yl)-7-azoniabicyclo[3.2.1]octane Openeye Name: (1R,5S)-3,3,5-trimethyl-7-(1-phenethylpiperidin-1-ium-4-yl)-7-azoniabicyclo[3.2.1]octane CAS Name: (1R,5S)-3,3,5-trimethyl-7-(1-phenethyl-4-piperidin-1-iumyl)-7-azoniabicyclo[3.2.1]octane IUPAC Name: (1R,5S)-3,3,5-trimethyl-7-(1-phenethylpiperidin-1-ium-4-yl)-7-azoniabicyclo[3.2.1]octane Traditional Name: (1R,5S)-3,3,5-trimethyl-7-(1-phenethylpiperidin-1-ium-4-yl)-7-azoniabicyclo[3.2.1]octane Formula: C23H38N2+2 MolecularWeight: 342.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(C[NH+]2C3CC[NH+](CC3)CCC4=CC=CC=C4)C)C

Isomeric SMILES

C[C@@]12C[C@@H](CC(C1)(C)C)[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H36N2/c1-22(2)15-21-16-23(3,17-22)18-25(21)20-10-13-24(14-11-20)12-9-19-7-5-4-6-8-19/h4-8,20-21H,9-18H2,1-3H3/p+2/t21-,23-/m1/s1