2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl-(2-methylprop-2-enyl)azanium; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl-(2-methylprop-2-enyl)azanium; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 4-hydroxy-4-oxo-butanoate; 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl-(2-methylallyl)ammonium CAS Name: 4-hydroxy-4-oxobutanoate; 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl-(2-methylprop-2-enyl)ammonium IUPAC Name: 4-hydroxy-4-oxobutanoate; 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl-(2-methylprop-2-enyl)azanium Traditional Name: 4-hydroxy-4-keto-butyrate; 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl-(2-methylallyl)ammonium Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2)C)CC[NH2+]CC(=C)C)OC.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2)C)CC[NH2+]CC(=C)C)OC.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C17H24N2O.C4H6O4/c1-11(2)10-18-9-8-14-13(4)19-15-6-7-16(20-5)12(3)17(14)15;5-3(6)1-2-4(7)8/h6-7,18-19H,1,8-10H2,2-5H3;1-2H2,(H,5,6)(H,7,8)