3-[3-[4-methyl-3-oxidanylidene-7-(phenylmethyl)quinoxalin-2-yl]indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-[4-methyl-3-oxidanylidene-7-(phenylmethyl)quinoxalin-2-yl]indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(7-benzyl-4-methyl-3-oxo-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-[4-methyl-3-oxo-7-(phenylmethyl)-2-quinoxalinyl]-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(7-benzyl-4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(7-benzyl-3-keto-4-methyl-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=C(C=C(C=C2)CC3=CC=CC=C3)N=C(C1=O)C4=CN(C5=CC=CC=C54)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].CN1C2=C(C=C(C=C2)CC3=CC=CC=C3)N=C(C1=O)C4=CN(C5=CC=CC=C54)CCC[NH3+]

InChI

InChI=1S/C27H26N4O.C2H4O2/c1-30-25-13-12-20(16-19-8-3-2-4-9-19)17-23(25)29-26(27(30)32)22-18-31(15-7-14-28)24-11-6-5-10-21(22)24;1-2(3)4/h2-6,8-13,17-18H,7,14-16,28H2,1H3;1H3,(H,3,4)