2-methyl-3-pent-4-ynyl-benzimidazol-3-ium-1-amine

Systemtic Name: 2-methyl-3-pent-4-ynyl-benzimidazol-3-ium-1-amine Openeye Name: 2-methyl-3-pent-4-ynyl-benzimidazol-3-ium-1-amine CAS Name: 2-methyl-3-pent-4-ynyl-1-benzimidazol-3-iumamine IUPAC Name: 2-methyl-3-pent-4-ynylbenzimidazol-3-ium-1-amine Traditional Name: (2-methyl-3-pent-4-ynyl-benzimidazol-3-ium-1-yl)amine Formula: C13H16N3+ MolecularWeight: 214.28624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1N)CCCC#C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1N)CCCC#C

InChI

InChI=1S/C13H16N3/c1-3-4-7-10-15-11(2)16(14)13-9-6-5-8-12(13)15/h1,5-6,8-9H,4,7,10,14H2,2H3/q+1