3-bromanyl-N-[(3-prop-2-enyl-1H-benzimidazol-3-ium-2-yl)methyl]-N-propyl-benzamide

Systemtic Name: 3-bromanyl-N-[(3-prop-2-enyl-1H-benzimidazol-3-ium-2-yl)methyl]-N-propyl-benzamide Openeye Name: N-[(3-allyl-1H-benzimidazol-3-ium-2-yl)methyl]-3-bromo-N-propyl-benzamide CAS Name: 3-bromo-N-[(3-prop-2-enyl-1H-benzimidazol-3-ium-2-yl)methyl]-N-propylbenzamide IUPAC Name: 3-bromo-N-[(3-prop-2-enyl-1H-benzimidazol-3-ium-2-yl)methyl]-N-propylbenzamide Traditional Name: N-[(3-allyl-1H-benzimidazol-3-ium-2-yl)methyl]-3-bromo-N-propyl-benzamide Formula: C21H23BrN3O+ MolecularWeight: 413.33082

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=[N+](C2=CC=CC=C2N1)CC=C)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCN(CC1=[N+](C2=CC=CC=C2N1)CC=C)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O/c1-3-12-24(21(26)16-8-7-9-17(22)14-16)15-20-23-18-10-5-6-11-19(18)25(20)13-4-2/h4-11,14H,2-3,12-13,15H2,1H3/p+1