2-[[(4R)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(4R)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4R)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4R)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethylammonium IUPAC Name: 2-[[(4R)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethylazanium Traditional Name: 2-[[(4R)-1,3-diketo-2-p-phenetyl-4H-isoquinolin-4-yl]methyleneamino]ethyl-dimethyl-ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NCC[NH+](C)C

InChI

InChI=1S/C22H25N3O3/c1-4-28-17-11-9-16(10-12-17)25-21(26)19-8-6-5-7-18(19)20(22(25)27)15-23-13-14-24(2)3/h5-12,15,20H,4,13-14H2,1-3H3/p+1/t20-/m0/s1