2-(benzotriazol-1-yl)ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 2-(benzotriazol-1-yl)ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [2-(benzotriazol-1-yl)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [2-(1-benzotriazolyl)-1-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [2-(benzotriazol-1-yl)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [2-(benzotriazol-1-yl)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CN3C4=CC=CC=C4N=N3)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CN3C4=CC=CC=C4N=N3)CC2OC(=C1)O

InChI

InChI=1S/C18H18N4O3/c1-11-8-18(24)25-16-9-12(6-7-13(11)16)19-17(23)10-22-15-5-3-2-4-14(15)20-21-22/h2-5,8,16,24H,6-7,9-10H2,1H3/p+1