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

Systemtic Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3,4,5-trimethoxy-benzamide chloride Openeye Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3,4,5-trimethoxy-benzamide chloride CAS Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3,4,5-trimethoxybenzamide chloride IUPAC Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3,4,5-trimethoxybenzamide chloride Traditional Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3,4,5-trimethoxy-benzamide chloride Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCC[NH+]2C=CN=C2.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCC[NH+]2C=CN=C2.[Cl-]

InChI

InChI=1S/C16H21N3O4.ClH/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);1H