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

Systemtic Name: 2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethyl-dipropyl-azanium Openeye Name: 2-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]ethyl-dipropyl-ammonium CAS Name: 2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]ethyl-dipropylammonium IUPAC Name: 2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]ethyl-dipropylazanium Traditional Name: 2-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]ethyl-dipropyl-ammonium Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C

Isomeric SMILES

CCC[NH+](CCC)CCNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C

InChI

InChI=1S/C20H29N3O2/c1-4-11-22(12-5-2)13-10-21-19(24)15-23-16(3)14-17-8-6-7-9-18(17)20(23)25/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,21,24)/p+1