(10-ethoxy-13-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) ethanoate

Systemtic Name: (10-ethoxy-13-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) ethanoate Openeye Name: (10-ethoxy-13-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) acetate CAS Name: acetic acid (10-ethoxy-13-methyl-9-isoquinolino[2,1-b]isoquinolin-7-iumyl) ester IUPAC Name: (10-ethoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) acetate Traditional Name: acetic acid (10-ethoxy-13-methyl-isoquinolin[2,1-b]isoquinolin-7-ium-9-yl) ester Formula: C22H20NO3+ MolecularWeight: 346.3991

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C[N+]3=C(C(=C2C=C1)C)C4=CC=CC=C4C=C3)OC(=O)C

Isomeric SMILES

CCOC1=C(C2=C[N+]3=C(C(=C2C=C1)C)C4=CC=CC=C4C=C3)OC(=O)C

InChI

InChI=1S/C22H20NO3/c1-4-25-20-10-9-17-14(2)21-18-8-6-5-7-16(18)11-12-23(21)13-19(17)22(20)26-15(3)24/h5-13H,4H2,1-3H3/q+1