ethyl 1-[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolyl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzothiazol-3-ium-2-yl)quinolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(1,3-benzothiazol-3-ium-2-yl)-2-quinolyl]isonipecotic acid ethyl ester Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=[NH+]C5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=[NH+]C5=CC=CC=C5S4

InChI

InChI=1S/C24H23N3O2S/c1-2-29-24(28)16-11-13-27(14-12-16)22-15-18(17-7-3-4-8-19(17)25-22)23-26-20-9-5-6-10-21(20)30-23/h3-10,15-16H,2,11-14H2,1H3/p+1