3-(3-butan-2-ylbenzimidazol-1-ium-1-yl)propanenitrile

Systemtic Name: 3-(3-butan-2-ylbenzimidazol-1-ium-1-yl)propanenitrile Openeye Name: 3-(3-sec-butylbenzimidazol-1-ium-1-yl)propanenitrile CAS Name: 3-(3-butan-2-yl-1-benzimidazol-1-iumyl)propanenitrile IUPAC Name: 3-(3-butan-2-ylbenzimidazol-1-ium-1-yl)propanenitrile Traditional Name: 3-(3-sec-butylbenzimidazol-1-ium-1-yl)propionitrile Formula: C14H18N3+ MolecularWeight: 228.31282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=[N+](C2=CC=CC=C21)CCC#N

Isomeric SMILES

CCC(C)N1C=[N+](C2=CC=CC=C21)CCC#N

InChI

InChI=1S/C14H18N3/c1-3-12(2)17-11-16(10-6-9-15)13-7-4-5-8-14(13)17/h4-5,7-8,11-12H,3,6,10H2,1-2H3/q+1