ethyl 1-[4-(cyclopropylcarbamoyl)quinolin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(cyclopropylcarbamoyl)quinolin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(cyclopropylcarbamoyl)quinolin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-[(cyclopropylamino)-oxomethyl]-2-quinolin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(cyclopropylcarbamoyl)quinolin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(cyclopropylcarbamoyl)quinolin-1-ium-2-yl]isonipecotic acid ethyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C21H25N3O3/c1-2-27-21(26)14-9-11-24(12-10-14)19-13-17(20(25)22-15-7-8-15)16-5-3-4-6-18(16)23-19/h3-6,13-15H,2,7-12H2,1H3,(H,22,25)/p+1