(2R,3S)-5-methyl-1-oxidanidyl-3-phenyl-2-piperidin-1-ium-1-yl-2,4-dihydropyrrol-1-ium-3-ol

Systemtic Name: (2R,3S)-5-methyl-1-oxidanidyl-3-phenyl-2-piperidin-1-ium-1-yl-2,4-dihydropyrrol-1-ium-3-ol Openeye Name: (2R,3S)-5-methyl-1-oxido-3-phenyl-2-piperidin-1-ium-1-yl-2,4-dihydropyrrol-1-ium-3-ol CAS Name: (2R,3S)-5-methyl-1-oxido-3-phenyl-2-(1-piperidin-1-iumyl)-2,4-dihydropyrrol-1-ium-3-ol IUPAC Name: (2R,3S)-5-methyl-1-oxido-3-phenyl-2-piperidin-1-ium-1-yl-2,4-dihydropyrrol-1-ium-3-ol Traditional Name: (2R,3S)-5-methyl-1-oxido-3-phenyl-2-piperidin-1-ium-1-yl-1-pyrrolin-1-ium-3-ol Formula: C16H23N2O2+ MolecularWeight: 275.36602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(C(C1)(C2=CC=CC=C2)O)[NH+]3CCCCC3)[O-]

Isomeric SMILES

CC1=[N+]([C@H]([C@](C1)(C2=CC=CC=C2)O)[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C16H22N2O2/c1-13-12-16(19,14-8-4-2-5-9-14)15(18(13)20)17-10-6-3-7-11-17/h2,4-5,8-9,15,19H,3,6-7,10-12H2,1H3/p+1/t15-,16+/m1/s1