N-[2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)ethyl]-2-oxidanylidene-3-propan-2-yl-benzimidazole-1-carboxamide iodide

Systemtic Name: N-[2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)ethyl]-2-oxidanylidene-3-propan-2-yl-benzimidazole-1-carboxamide iodide Openeye Name: N-[2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)ethyl]-3-isopropyl-2-oxo-benzimidazole-1-carboxamide iodide CAS Name: N-[2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)ethyl]-2-oxo-3-propan-2-yl-1-benzimidazolecarboxamide iodide IUPAC Name: N-[2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide iodide Traditional Name: N-[2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)ethyl]-3-isopropyl-2-keto-benzimidazole-1-carboxamide iodide Formula: C21H32IN5O2 MolecularWeight: 513.41555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NCCN3CC[N+](CC3)(C)CC=C.[I-]

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NCCN3CC[N+](CC3)(C)CC=C.[I-]

InChI

InChI=1S/C21H31N5O2.HI/c1-5-14-26(4)15-12-23(13-16-26)11-10-22-20(27)25-19-9-7-6-8-18(19)24(17(2)3)21(25)28;/h5-9,17H,1,10-16H2,2-4H3;1H