ethyl 4-(7-chloranylquinolin-1-ium-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(7-chloranylquinolin-1-ium-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(7-chloroquinolin-1-ium-4-yl)piperazine-1-carboxylate CAS Name: 4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(7-chloroquinolin-1-ium-4-yl)piperazine-1-carboxylate Traditional Name: 4-(7-chloroquinolin-1-ium-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C16H19ClN3O2+ MolecularWeight: 320.79396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl

InChI

InChI=1S/C16H18ClN3O2/c1-2-22-16(21)20-9-7-19(8-10-20)15-5-6-18-14-11-12(17)3-4-13(14)15/h3-6,11H,2,7-10H2,1H3/p+1