N-[(1-but-3-enyl-3-propyl-benzimidazol-3-ium-2-yl)methyl]-3-iodanyl-N-propyl-benzamide

Systemtic Name: N-[(1-but-3-enyl-3-propyl-benzimidazol-3-ium-2-yl)methyl]-3-iodanyl-N-propyl-benzamide Openeye Name: N-[(1-but-3-enyl-3-propyl-benzimidazol-3-ium-2-yl)methyl]-3-iodo-N-propyl-benzamide CAS Name: N-[(1-but-3-enyl-3-propyl-2-benzimidazol-3-iumyl)methyl]-3-iodo-N-propylbenzamide IUPAC Name: N-[(1-but-3-enyl-3-propylbenzimidazol-3-ium-2-yl)methyl]-3-iodo-N-propylbenzamide Traditional Name: N-[(1-but-3-enyl-3-propyl-benzimidazol-3-ium-2-yl)methyl]-3-iodo-N-propyl-benzamide Formula: C25H31IN3O+ MolecularWeight: 516.43761

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(N(C2=CC=CC=C21)CCC=C)CN(CCC)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CCC[N+]1=C(N(C2=CC=CC=C21)CCC=C)CN(CCC)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C25H31IN3O/c1-4-7-17-29-23-14-9-8-13-22(23)28(16-6-3)24(29)19-27(15-5-2)25(30)20-11-10-12-21(26)18-20/h4,8-14,18H,1,5-7,15-17,19H2,2-3H3/q+1