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

Systemtic Name: (4-methoxyphenyl)methyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium Openeye Name: (4-methoxyphenyl)methyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(2S,4S,5S)-1,2,5-trimethyl-4-piperidin-1-iumyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium Traditional Name: p-anisyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]ammonium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-12-11-18(3)13(2)9-16(12)17-10-14-5-7-15(19-4)8-6-14/h5-8,12-13,16-17H,9-11H2,1-4H3/p+2/t12-,13-,16-/m0/s1