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

Systemtic Name: butyl 4-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-2-3-14-27-22(26)18-8-10-20(11-9-18)23-21(25)16-24-13-12-17-6-4-5-7-19(17)15-24/h8-13,15H,2-7,14,16H2,1H3/p+1