1-[4-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]-3-piperidin-1-yl-propan-2-ol

Systemtic Name: 1-[4-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]-3-piperidin-1-yl-propan-2-ol Openeye Name: 1-[4-(2-chroman-6-yloxazol-5-yl)pyridin-1-ium-1-yl]-3-(1-piperidyl)propan-2-ol CAS Name: 1-[4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]-1-pyridin-1-iumyl]-3-(1-piperidinyl)-2-propanol IUPAC Name: 1-[4-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]-3-piperidin-1-ylpropan-2-ol Traditional Name: 1-[4-(2-chroman-6-yloxazol-5-yl)pyridin-1-ium-1-yl]-3-piperidino-propan-2-ol Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(C[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC5=C(C=C4)OCCC5)O

Isomeric SMILES

C1CCN(CC1)CC(C[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC5=C(C=C4)OCCC5)O

InChI

InChI=1S/C25H30N3O3/c29-22(17-27-10-2-1-3-11-27)18-28-12-8-19(9-13-28)24-16-26-25(31-24)21-6-7-23-20(15-21)5-4-14-30-23/h6-9,12-13,15-16,22,29H,1-5,10-11,14,17-18H2/q+1