3-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)-4H-isoquinolin-4-yl]methylideneamino]propyl-diethyl-azanium

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)-4H-isoquinolin-4-yl]methylideneamino]propyl-diethyl-azanium Openeye Name: 3-[(2-benzyl-1,3-dioxo-4H-isoquinolin-4-yl)methyleneamino]propyl-diethyl-ammonium CAS Name: 3-[[1,3-dioxo-2-(phenylmethyl)-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylammonium IUPAC Name: 3-[(2-benzyl-1,3-dioxo-4H-isoquinolin-4-yl)methylideneamino]propyl-diethylazanium Traditional Name: 3-[(2-benzyl-1,3-diketo-4H-isoquinolin-4-yl)methyleneamino]propyl-diethyl-ammonium Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-3-26(4-2)16-10-15-25-17-22-20-13-8-9-14-21(20)23(28)27(24(22)29)18-19-11-6-5-7-12-19/h5-9,11-14,17,22H,3-4,10,15-16,18H2,1-2H3/p+1