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

Systemtic Name: ethyl 10-cyano-9-[(phenylmethyl)amino]imidazo[1,2-a]quinolin-10-ium-2-carboxylate hydrate Openeye Name: ethyl 9-(benzylamino)-10-cyano-imidazo[1,2-a]quinolin-10-ium-2-carboxylate hydrate CAS Name: 10-cyano-9-[(phenylmethyl)amino]-2-imidazo[1,2-a]quinolin-10-iumcarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 9-(benzylamino)-10-cyanoimidazo[1,2-a]quinolin-10-ium-2-carboxylate hydrate Traditional Name: 9-(benzylamino)-10-cyano-imidazo[1,2-a]quinolin-10-ium-2-carboxylic acid ethyl ester hydrate Formula: C22H21N4O3+ MolecularWeight: 389.42714

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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=CC=C4)C#N.O

Isomeric SMILES

CCOC(=O)C1=C[N+]2(C(=N1)C=CC3=C2C(=CC=C3)NCC4=CC=CC=C4)C#N.O

InChI

InChI=1S/C22H19N4O2.H2O/c1-2-28-22(27)19-14-26(15-23)20(25-19)12-11-17-9-6-10-18(21(17)26)24-13-16-7-4-3-5-8-16;/h3-12,14,24H,2,13H2,1H3;1H2/q+1;