1-(2-methyl-3,4-dihydro-2H-thiochromen-6-yl)-2-(2-phenyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-4-yl)propan-1-ol

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-thiochromen-6-yl)-2-(2-phenyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-4-yl)propan-1-ol Openeye Name: 1-(2-methylthiochroman-6-yl)-2-(2-phenyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-4-yl)propan-1-ol CAS Name: 1-(2-methyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-2-(2-phenyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-4-yl)-1-propanol IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-thiochromen-6-yl)-2-(2-phenyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-4-yl)propan-1-ol Traditional Name: 1-(2-methylthiochroman-6-yl)-2-(2-phenyl-7-oxa-1-aza-4-azoniabicyclo[2.2.1]heptan-4-yl)propan-1-ol Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(S1)C=CC(=C2)C(C(C)[N+]34CCN(O3)C(C4)C5=CC=CC=C5)O

Isomeric SMILES

CC1CCC2=C(S1)C=CC(=C2)C(C(C)[N+]34CCN(O3)C(C4)C5=CC=CC=C5)O

InChI

InChI=1S/C23H29N2O2S/c1-16-8-9-19-14-20(10-11-22(19)28-16)23(26)17(2)25-13-12-24(27-25)21(15-25)18-6-4-3-5-7-18/h3-7,10-11,14,16-17,21,23,26H,8-9,12-13,15H2,1-2H3/q+1