1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium

Systemtic Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium Openeye Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium CAS Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium IUPAC Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazol-1-ium Traditional Name: 1,1-dimethyl-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-anthranil-1-ium Formula: C15H22NO+ MolecularWeight: 232.34128

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2C(CCCC2C3=CC=CC=C3)CO1)C

Isomeric SMILES

C[N+]1(C2C(CCCC2C3=CC=CC=C3)CO1)C

InChI

InChI=1S/C15H22NO/c1-16(2)15-13(11-17-16)9-6-10-14(15)12-7-4-3-5-8-12/h3-5,7-8,13-15H,6,9-11H2,1-2H3/q+1