dibutyl-[(3-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]azanium

Systemtic Name: dibutyl-[(3-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]azanium Openeye Name: dibutyl-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]ammonium CAS Name: dibutyl-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-4-yl)methyl]ammonium IUPAC Name: dibutyl-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]azanium Traditional Name: dibutyl-[(3-hydroxy-6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]ammonium Formula: C22H32NO3+ MolecularWeight: 358.49438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O

InChI

InChI=1S/C22H31NO3/c1-3-5-13-23(14-6-4-2)15-19-20(24)12-11-17-16-9-7-8-10-18(16)22(25)26-21(17)19/h11-12,24H,3-10,13-15H2,1-2H3/p+1