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

Systemtic Name: 2-[[(4-tert-butylphenyl)methyl-methyl-azaniumyl]methyl]-8-methyl-1-oxidanylidene-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate Openeye Name: 2-[[(4-tert-butylphenyl)methyl-methyl-ammonio]methyl]-8-methyl-1-oxo-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate CAS Name: 2-[[(4-tert-butylphenyl)methyl-methylammonio]methyl]-8-methyl-1-oxo-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate IUPAC Name: 2-[[(4-tert-butylphenyl)methyl-methylazaniumyl]methyl]-8-methyl-1-oxo-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate Traditional Name: 2-[[(4-tert-butylbenzyl)-methyl-ammonio]methyl]-1-keto-8-methyl-2,4-diaza-8-azoniaspiro[4.5]dec-3-en-3-olate Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=O)C3(CC[NH+](CC3)C)N=C2[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=O)C3(CC[NH+](CC3)C)N=C2[O-]

InChI

InChI=1S/C21H32N4O2/c1-20(2,3)17-8-6-16(7-9-17)14-24(5)15-25-18(26)21(22-19(25)27)10-12-23(4)13-11-21/h6-9H,10-15H2,1-5H3,(H,22,27)/p+1