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

Systemtic Name: 2-[[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxidanylidene-butanoyl]amino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3-imidazol-1-yl-4-indolin-1-yl-4-oxo-butanoyl)amino]ethyl]-methyl-ammonium CAS Name: 2-[[4-(2,3-dihydroindol-1-yl)-3-(1-imidazolyl)-1,4-dioxobutyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxobutanoyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[(3-imidazol-1-yl-4-indolin-1-yl-4-keto-butanoyl)amino]ethyl]-methyl-ammonium Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)CC(C(=O)N1CCC2=CC=CC=C21)N3C=CN=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCNC(=O)CC(C(=O)N1CCC2=CC=CC=C21)N3C=CN=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-28(18-20-7-3-2-4-8-20)15-13-27-24(31)17-23(29-16-12-26-19-29)25(32)30-14-11-21-9-5-6-10-22(21)30/h2-10,12,16,19,23H,11,13-15,17-18H2,1H3,(H,27,31)/p+1