8-hexyl-3,5,5-trimethyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-3-ium-10-ol

Systemtic Name: 8-hexyl-3,5,5-trimethyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-3-ium-10-ol Openeye Name: 8-hexyl-3,5,5-trimethyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-3-ium-10-ol CAS Name: 8-hexyl-3,5,5-trimethyl-1,2,3,4-tetrahydro[1]benzopyrano[3,4-c]pyridin-3-ium-10-ol IUPAC Name: 8-hexyl-3,5,5-trimethyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-3-ium-10-ol Traditional Name: 8-hexyl-3,5,5-trimethyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-3-ium-10-ol Formula: C21H32NO2+ MolecularWeight: 330.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C3=C(C[NH+](CC3)C)C(O2)(C)C)C(=C1)O

Isomeric SMILES

CCCCCCC1=CC2=C(C3=C(C[NH+](CC3)C)C(O2)(C)C)C(=C1)O

InChI

InChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3/p+1