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

Systemtic Name: ethyl-[3-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[3-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]propyl]ammonium CAS Name: ethyl-[3-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[3-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]propyl]azanium Traditional Name: benzyl-ethyl-[3-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]propyl]ammonium Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CCCNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-3-26(17-20-10-5-4-6-11-20)15-9-14-25-23(28)18-27-19(2)16-21-12-7-8-13-22(21)24(27)29/h4-8,10-13,16H,3,9,14-15,17-18H2,1-2H3,(H,25,28)/p+1