(3S)-3-(4-fluorophenyl)-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol

Systemtic Name: (3S)-3-(4-fluorophenyl)-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol Openeye Name: (3S)-3-(4-fluorophenyl)-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol CAS Name: (3S)-3-(4-fluorophenyl)-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol IUPAC Name: (3S)-3-(4-fluorophenyl)-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol Traditional Name: (3S)-3-(4-fluorophenyl)-1-(2-methoxyphenyl)-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol Formula: C21H24FN2O2+ MolecularWeight: 355.425863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC([N+]3=C2CCCCC3)(C4=CC=C(C=C4)F)O

Isomeric SMILES

COC1=CC=CC=C1N2C[C@]([N+]3=C2CCCCC3)(C4=CC=C(C=C4)F)O

InChI

InChI=1S/C21H24FN2O2/c1-26-19-8-5-4-7-18(19)23-15-21(25,16-10-12-17(22)13-11-16)24-14-6-2-3-9-20(23)24/h4-5,7-8,10-13,25H,2-3,6,9,14-15H2,1H3/q+1/t21-/m1/s1