1-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-3,3-dimethyl-butan-2-one

Systemtic Name: 1-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-3,3-dimethyl-butan-2-one Openeye Name: 1-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-3,3-dimethyl-butan-2-one CAS Name: 1-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-3,3-dimethyl-2-butanone IUPAC Name: 1-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-3,3-dimethylbutan-2-one Traditional Name: 1-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-3,3-dimethyl-butan-2-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=C(N(C2=CC=CC=C21)CC=C)N

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=C(N(C2=CC=CC=C21)CC=C)N

InChI

InChI=1S/C16H21N3O/c1-5-10-18-12-8-6-7-9-13(12)19(15(18)17)11-14(20)16(2,3)4/h5-9,17H,1,10-11H2,2-4H3/p+1