ethyl 10-cyano-9-(furan-2-ylmethylamino)imidazo[1,2-a]quinolin-10-ium-2-carboxylate hydrate

Systemtic Name: ethyl 10-cyano-9-(furan-2-ylmethylamino)imidazo[1,2-a]quinolin-10-ium-2-carboxylate hydrate Openeye Name: ethyl 10-cyano-9-(2-furylmethylamino)imidazo[1,2-a]quinolin-10-ium-2-carboxylate hydrate CAS Name: 10-cyano-9-(2-furanylmethylamino)-2-imidazo[1,2-a]quinolin-10-iumcarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 10-cyano-9-(furan-2-ylmethylamino)imidazo[1,2-a]quinolin-10-ium-2-carboxylate hydrate Traditional Name: 10-cyano-9-(2-furfurylamino)imidazo[1,2-a]quinolin-10-ium-2-carboxylic acid ethyl ester hydrate Formula: C20H19N4O4+ MolecularWeight: 379.38926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+]2(C(=N1)C=CC3=C2C(=CC=C3)NCC4=CC=CO4)C#N.O

Isomeric SMILES

CCOC(=O)C1=C[N+]2(C(=N1)C=CC3=C2C(=CC=C3)NCC4=CC=CO4)C#N.O

InChI

InChI=1S/C20H17N4O3.H2O/c1-2-26-20(25)17-12-24(13-21)18(23-17)9-8-14-5-3-7-16(19(14)24)22-11-15-6-4-10-27-15;/h3-10,12,22H,2,11H2,1H3;1H2/q+1;