3-[[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxidanylidene-butanoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxidanylidene-butanoyl]amino]propyl-diethyl-azanium Openeye Name: diethyl-[3-[(3-imidazol-1-yl-4-indolin-1-yl-4-oxo-butanoyl)amino]propyl]ammonium CAS Name: 3-[[4-(2,3-dihydroindol-1-yl)-3-(1-imidazolyl)-1,4-dioxobutyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanoyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(3-imidazol-1-yl-4-indolin-1-yl-4-keto-butanoyl)amino]propyl]ammonium Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CC(C(=O)N1CCC2=CC=CC=C21)N3C=CN=C3

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CC(C(=O)N1CCC2=CC=CC=C21)N3C=CN=C3

InChI

InChI=1S/C22H31N5O2/c1-3-25(4-2)13-7-11-24-21(28)16-20(26-15-12-23-17-26)22(29)27-14-10-18-8-5-6-9-19(18)27/h5-6,8-9,12,15,17,20H,3-4,7,10-11,13-14,16H2,1-2H3,(H,24,28)/p+1