ethyl 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H27N3O3/c1-2-25-19(24)22-11-8-17(9-12-22)20-18(23)14-21-10-7-15-5-3-4-6-16(15)13-21/h3-6,17H,2,7-14H2,1H3,(H,20,23)/p+1