8-[(3-methylphenyl)methyl]-1-oxidanylidene-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate

Systemtic Name: 8-[(3-methylphenyl)methyl]-1-oxidanylidene-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate Openeye Name: 8-(m-tolylmethyl)-1-oxo-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate CAS Name: 8-[(3-methylphenyl)methyl]-1-oxo-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate IUPAC Name: 8-[(3-methylphenyl)methyl]-1-oxo-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate Traditional Name: 1-keto-8-(3-methylbenzyl)-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC3(CC2)C(=O)NC(=N3)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC3(CC2)C(=O)NC(=N3)[O-]

InChI

InChI=1S/C15H19N3O2/c1-11-3-2-4-12(9-11)10-18-7-5-15(6-8-18)13(19)16-14(20)17-15/h2-4,9H,5-8,10H2,1H3,(H2,16,17,19,20)