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

Systemtic Name: 3-[[(4S)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[(4S)-1,3-diketo-2-p-phenetyl-4H-isoquinolin-4-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-4-29-18-12-10-17(11-13-18)26-22(27)20-9-6-5-8-19(20)21(23(26)28)16-24-14-7-15-25(2)3/h5-6,8-13,16,21H,4,7,14-15H2,1-3H3/p+1/t21-/m1/s1