3-nitro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide

Systemtic Name: 3-nitro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Openeye Name: 3-nitro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide CAS Name: 3-nitro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide IUPAC Name: 3-nitro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Traditional Name: 3-nitro-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c23-19(16-7-3-8-18(13-16)22(24)25)20-10-4-11-21-12-9-15-5-1-2-6-17(15)14-21/h1-3,5-8,13H,4,9-12,14H2,(H,20,23)/p+1