[4-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: diethyl-[[4-[[(4-indan-5-yl-4-oxo-butanoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: [4-[[[4-(2,3-dihydro-1H-inden-5-yl)-1,4-dioxobutyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-[[(4-indan-5-yl-4-keto-butanoyl)amino]methyl]benzyl]ammonium Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C25H32N2O2/c1-3-27(4-2)18-20-10-8-19(9-11-20)17-26-25(29)15-14-24(28)23-13-12-21-6-5-7-22(21)16-23/h8-13,16H,3-7,14-15,17-18H2,1-2H3,(H,26,29)/p+1