ethyl 4-[2-[(4R)-4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-3-ium-2-yl]quinolin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4R)-4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-3-ium-2-yl]quinolin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4R)-4-isopropyl-4-methyl-5-oxo-1H-imidazol-3-ium-2-yl]quinoline-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-3-ium-2-yl]-3-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-3-ium-2-yl]quinoline-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4R)-4-isopropyl-5-keto-4-methyl-2-imidazolin-3-ium-2-yl]quinoline-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H30N5O4+ MolecularWeight: 452.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N=C2C4=[NH+]C(C(=O)N4)(C)C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N=C2C4=[NH+][C@](C(=O)N4)(C)C(C)C

InChI

InChI=1S/C24H29N5O4/c1-5-33-23(32)29-12-10-28(11-13-29)21(30)17-14-16-8-6-7-9-18(16)25-19(17)20-26-22(31)24(4,27-20)15(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,27,31)/p+1/t24-/m1/s1