ethyl 4-[[5-(2-methylquinolin-1-ium-4-yl)-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(2-methylquinolin-1-ium-4-yl)-2-oxidanyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-hydroxy-5-(2-methylquinolin-1-ium-4-yl)phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-hydroxy-5-(2-methyl-4-quinolin-1-iumyl)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-hydroxy-5-(2-methylquinolin-1-ium-4-yl)phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-hydroxy-5-(2-methylquinolin-1-ium-4-yl)benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)C3=CC(=[NH+]C4=CC=CC=C43)C)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)C3=CC(=[NH+]C4=CC=CC=C43)C)O

InChI

InChI=1S/C24H27N3O3/c1-3-30-24(29)27-12-10-26(11-13-27)16-19-15-18(8-9-23(19)28)21-14-17(2)25-22-7-5-4-6-20(21)22/h4-9,14-15,28H,3,10-13,16H2,1-2H3/p+1