ethyl 4-[7-chloranyl-3-[[cyclopropyl(thiophen-2-ylcarbonyl)amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[7-chloranyl-3-[[cyclopropyl(thiophen-2-ylcarbonyl)amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[7-chloro-3-[[cyclopropyl(thiophene-2-carbonyl)amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-3-[[cyclopropyl-[oxo(thiophen-2-yl)methyl]amino]methyl]-2-quinolin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-chloro-3-[[cyclopropyl(thiophene-2-carbonyl)amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-3-[[cyclopropyl(2-thenoyl)amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28ClN4O3S+ MolecularWeight: 500.03282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)CN(C4CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)CN(C4CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H27ClN4O3S/c1-2-33-25(32)29-11-9-28(10-12-29)23-18(14-17-5-6-19(26)15-21(17)27-23)16-30(20-7-8-20)24(31)22-4-3-13-34-22/h3-6,13-15,20H,2,7-12,16H2,1H3/p+1