3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,4-dioxobutyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoyl]amino]propyl-diethylazanium Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butanoyl]amino]propyl-diethyl-ammonium Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CCC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CCC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C20H31N3O2/c1-3-22(4-2)14-7-13-21-19(24)10-11-20(25)23-15-12-17-8-5-6-9-18(17)16-23/h5-6,8-9H,3-4,7,10-16H2,1-2H3,(H,21,24)/p+1