propyl 4-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoic acid propyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C21H24N2O3/c1-2-13-26-21(25)17-7-9-19(10-8-17)22-20(24)15-23-12-11-16-5-3-4-6-18(16)14-23/h7-12,14H,2-6,13,15H2,1H3/p+1