ethyl 4-[7-chloranyl-3-[[cyclopropyl-(5-methylthiophen-2-yl)carbonyl-amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[7-chloranyl-3-[[cyclopropyl-(5-methylthiophen-2-yl)carbonyl-amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[7-chloro-3-[[cyclopropyl-(5-methylthiophene-2-carbonyl)amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-3-[[cyclopropyl-[(5-methyl-2-thiophenyl)-oxomethyl]amino]methyl]-2-quinolin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-chloro-3-[[cyclopropyl-(5-methylthiophene-2-carbonyl)amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-3-[[cyclopropyl-(5-methylthiophene-2-carbonyl)amino]methyl]quinolin-1-ium-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H30ClN4O3S+ MolecularWeight: 514.0594

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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=C(S5)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)CN(C4CC4)C(=O)C5=CC=C(S5)C

InChI

InChI=1S/C26H29ClN4O3S/c1-3-34-26(33)30-12-10-29(11-13-30)24-19(14-18-5-6-20(27)15-22(18)28-24)16-31(21-7-8-21)25(32)23-9-4-17(2)35-23/h4-6,9,14-15,21H,3,7-8,10-13,16H2,1-2H3/p+1