ethyl 4-quinolin-1-ium-2-ylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-quinolin-1-ium-2-ylpiperazine-1-carboxylate Openeye Name: ethyl 4-quinolin-1-ium-2-ylpiperazine-1-carboxylate CAS Name: 4-(2-quinolin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-quinolin-1-ium-2-ylpiperazine-1-carboxylate Traditional Name: 4-quinolin-1-ium-2-ylpiperazine-1-carboxylic acid ethyl ester Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2

InChI

InChI=1S/C16H19N3O2/c1-2-21-16(20)19-11-9-18(10-12-19)15-8-7-13-5-3-4-6-14(13)17-15/h3-8H,2,9-12H2,1H3/p+1