2-(4-nitropyrazol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]ethanamide

Systemtic Name: 2-(4-nitropyrazol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]ethanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]acetamide CAS Name: 2-(4-nitro-1-pyrazolyl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]acetamide IUPAC Name: 2-(4-nitropyrazol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]acetamide Traditional Name: 2-(4-nitropyrazol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]acetamide Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c23-17(13-21-12-16(10-19-21)22(24)25)18-7-3-8-20-9-6-14-4-1-2-5-15(14)11-20/h1-2,4-5,10,12H,3,6-9,11,13H2,(H,18,23)/p+1