2-[(2R,7aS)-7a-methyl-1-oxidanyl-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium-2-yl]phenol

Systemtic Name: 2-[(2R,7aS)-7a-methyl-1-oxidanyl-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium-2-yl]phenol Openeye Name: 2-[(2R,7aS)-1-hydroxy-7a-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium-2-yl]phenol CAS Name: 2-[(2R,7aS)-1-hydroxy-7a-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium-2-yl]phenol IUPAC Name: 2-[(2R,7aS)-1-hydroxy-7a-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium-2-yl]phenol Traditional Name: 2-[(2R,7aS)-1-hydroxy-7a-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium-2-yl]phenol Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCCC1=[NH+]C(N2O)C3=CC=CC=C3O

Isomeric SMILES

C[C@]12CCCCC1=[NH+][C@H](N2O)C3=CC=CC=C3O

InChI

InChI=1S/C14H18N2O2/c1-14-9-5-4-8-12(14)15-13(16(14)18)10-6-2-3-7-11(10)17/h2-3,6-7,13,17-18H,4-5,8-9H2,1H3/p+1/t13-,14+/m1/s1