methyl N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]carbamate

Systemtic Name: methyl N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]carbamate Openeye Name: methyl N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]carbamate CAS Name: N-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]carbamate Traditional Name: N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]carbamic acid methyl ester Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

COC(=O)NC(=O)C[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C13H16N2O3/c1-18-13(17)14-12(16)9-15-7-6-10-4-2-3-5-11(10)8-15/h2-5H,6-9H2,1H3,(H,14,16,17)/p+1