2-[2-(2-methylphenyl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylic acid; methyl-(phenylmethyl)azanium

Systemtic Name: 2-[2-(2-methylphenyl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylic acid; methyl-(phenylmethyl)azanium Openeye Name: benzyl(methyl)ammonium; 2-[2-(o-tolyl)cyclopropyl]-4-oxo-3-propyl-chromene-6-carboxylic acid CAS Name: 2-[2-(2-methylphenyl)cyclopropyl]-4-oxo-3-propyl-1-benzopyran-6-carboxylic acid; methyl-(phenylmethyl)ammonium IUPAC Name: benzyl(methyl)azanium; 2-[2-(2-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylic acid Traditional Name: benzyl(methyl)ammonium; 4-keto-2-[2-(o-tolyl)cyclopropyl]-3-propyl-chromene-6-carboxylic acid Formula: C31H34NO4+ MolecularWeight: 484.60596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C3CC3C4=CC=CC=C4C.C[NH2+]CC1=CC=CC=C1

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C3CC3C4=CC=CC=C4C.C[NH2+]CC1=CC=CC=C1

InChI

InChI=1S/C23H22O4.C8H11N/c1-3-6-16-21(24)19-11-14(23(25)26)9-10-20(19)27-22(16)18-12-17(18)15-8-5-4-7-13(15)2;1-9-7-8-5-3-2-4-6-8/h4-5,7-11,17-18H,3,6,12H2,1-2H3,(H,25,26);2-6,9H,7H2,1H3/p+1