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3-(7-methyl-1-oxidanidyl-7,8-dihydro-6H-cyclopenta[g][1,2,4]benzotriazin-1-ium-3-yl)propan-1-ol
3-(7-methyl-1-oxidanidyl-7,8-dihydro-6H-cyclopenta[g][1,2,4]benzotriazin-1-ium-3-yl)propan-1-ol
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Descriptors Computed from Structure
Canonical SMILES:
CC1CC2=CC3=C(C=C2C1)[N+](=NC(=N3)CCCO)[O-]
Isomeric SMILES
CC1CC2=CC3=C(C=C2C1)[N+](=NC(=N3)CCCO)[O-]
InChI
InChI=1S/C14H17N3O2/c1-9-5-10-7-12-13(8-11(10)6-9)17(19)16-14(15-12)3-2-4-18/h7-9,18H,2-6H2,1H3
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- 3-(3-hydroxyphenyl)propanoic acid
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