diethyl-[3-[2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanoylamino]propyl]azanium

Systemtic Name: diethyl-[3-[2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanoylamino]propyl]azanium Openeye Name: diethyl-[3-[[2-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]acetyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[2-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]acetyl]amino]propyl]ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C

InChI

InChI=1S/C21H30N4O3/c1-4-24(5-2)12-8-11-22-19(26)14-23-20(27)15-25-16(3)13-17-9-6-7-10-18(17)21(25)28/h6-7,9-10,13H,4-5,8,11-12,14-15H2,1-3H3,(H,22,26)(H,23,27)/p+1