(4-propan-2-yloxyphenyl)methyl-[(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium

Systemtic Name: (4-propan-2-yloxyphenyl)methyl-[(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium Openeye Name: (4-isopropoxyphenyl)methyl-[(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]ammonium CAS Name: (4-propan-2-yloxyphenyl)methyl-[(2S,4R,5S)-1,2,5-trimethyl-4-piperidin-1-iumyl]ammonium IUPAC Name: (4-propan-2-yloxyphenyl)methyl-[(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium Traditional Name: (4-isopropoxybenzyl)-[(2S,4R,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)[NH2+]CC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

C[C@H]1C[C@H]([C@H](C[NH+]1C)C)[NH2+]CC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C18H30N2O/c1-13(2)21-17-8-6-16(7-9-17)11-19-18-10-15(4)20(5)12-14(18)3/h6-9,13-15,18-19H,10-12H2,1-5H3/p+2/t14-,15-,18+/m0/s1