N-[3-(1H-imidazol-3-ium-3-yl)propyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-3,4,5-trimethoxy-benzamide Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCC[N+]2=CNC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCC[N+]2=CNC=C2

InChI

InChI=1S/C16H21N3O4/c1-21-13-9-12(10-14(22-2)15(13)23-3)16(20)18-5-4-7-19-8-6-17-11-19/h6,8-11H,4-5,7H2,1-3H3,(H,18,20)/p+1