[(2S)-butan-2-yl]-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]azanium Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]azanium Traditional Name: (2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl-[(1S)-1-methylpropyl]ammonium Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC2=C(C=C1)N(C(=O)N2C)C

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC2=C(C=C1)N(C(=O)N2C)C

InChI

InChI=1S/C14H21N3O/c1-5-10(2)15-9-11-6-7-12-13(8-11)17(4)14(18)16(12)3/h6-8,10,15H,5,9H2,1-4H3/p+1/t10-/m0/s1