(2Z)-2-oxidanyl-5-propyl-1,5-benzoxazocin-5-ium-4-one

Systemtic Name: (2Z)-2-oxidanyl-5-propyl-1,5-benzoxazocin-5-ium-4-one Openeye Name: (2Z)-2-hydroxy-5-propyl-1,5-benzoxazocin-5-ium-4-one CAS Name: (2Z)-2-hydroxy-5-propyl-1,5-benzoxazocin-5-ium-4-one IUPAC Name: (2Z)-2-hydroxy-5-propyl-1,5-benzoxazocin-5-ium-4-one Traditional Name: (2Z)-2-hydroxy-5-propyl-1,5-benzoxazocin-5-ium-4-one Formula: C13H14NO3+ MolecularWeight: 232.25516

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC2=CC=CC=C2OC(=CC1=O)O

Isomeric SMILES

CCC[N+]1=CC2=CC=CC=C2O/C(=C\C1=O)/O

InChI

InChI=1S/C13H13NO3/c1-2-7-14-9-10-5-3-4-6-11(10)17-13(16)8-12(14)15/h3-6,8-9H,2,7H2,1H3/p+1