5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carboxylic acid

Systemtic Name: 5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carboxylic acid Openeye Name: 1-benzyl-5-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carboxylic acid CAS Name: 5-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carboxylic acid IUPAC Name: 1-benzyl-5-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carboxylic acid Traditional Name: 1-benzyl-5-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carboxylic acid Formula: C30H32N3O3+ MolecularWeight: 482.59338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=CC[N+](C4C=C3)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=CC[N+](C4C=C3)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H31N3O3/c1-3-4-10-28-31-26-13-11-21(2)17-25(26)29(34)32(28)19-23-12-14-27-24(18-23)15-16-33(27,30(35)36)20-22-8-6-5-7-9-22/h5-9,11-15,17-18,27H,3-4,10,16,19-20H2,1-2H3/p+1