N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl]acetamide Formula: C21H18Cl2N3O3+ MolecularWeight: 431.29192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](C=C(N2C1)C3=CC(=C(C=C3)Cl)Cl)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=[N+](C=C(N2C1)C3=CC(=C(C=C3)Cl)Cl)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17Cl2N3O3/c22-15-5-3-13(8-16(15)23)17-10-25(21-2-1-7-26(17)21)11-20(27)24-14-4-6-18-19(9-14)29-12-28-18/h3-6,8-10H,1-2,7,11-12H2/p+1