ethyl 4-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: ethyl 4-[2-(isopropylamino)pyridin-1-ium-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(propan-2-ylamino)pyridin-1-ium-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[2-(isopropylamino)pyridin-1-ium-1-carbonyl]piperidine-1-carboxylic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)[N+]2=CC=CC=C2NC(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)[N+]2=CC=CC=C2NC(C)C

InChI

InChI=1S/C17H25N3O3/c1-4-23-17(22)19-11-8-14(9-12-19)16(21)20-10-6-5-7-15(20)18-13(2)3/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3/p+1