2-[3-azanylidene-2-[3-(dimethylamino)-4-methoxy-5-prop-1-en-2-yl-phenyl]-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-yl]ethanoic acid

Systemtic Name: 2-[3-azanylidene-2-[3-(dimethylamino)-4-methoxy-5-prop-1-en-2-yl-phenyl]-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-yl]ethanoic acid Openeye Name: 2-[2-[3-(dimethylamino)-5-isopropenyl-4-methoxy-phenyl]-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-yl]acetic acid CAS Name: 2-[2-[3-(dimethylamino)-4-methoxy-5-(1-methylethenyl)phenyl]-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-yl]acetic acid IUPAC Name: 2-[2-[3-(dimethylamino)-4-methoxy-5-prop-1-en-2-ylphenyl]-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-yl]acetic acid Traditional Name: 2-[2-[3-(dimethylamino)-5-isopropenyl-4-methoxy-phenyl]-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-yl]acetic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C(=C)C)OC)N(C)C)[O-])CC(=O)O)OCC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C(=C)C)OC)N(C)C)[O-])CC(=O)O)OCC

InChI

InChI=1S/C26H33N3O5/c1-8-22-19-14-23(34-9-2)16(11-24(30)31)10-20(19)26(27)29(22,32)17-12-18(15(3)4)25(33-7)21(13-17)28(5)6/h10,12-14,22,27H,3,8-9,11H2,1-2,4-7H3,(H,30,31)