butyl-[2-[[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxidanylidene-butanoyl]amino]ethyl]-methyl-azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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