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

Systemtic Name: (1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl-[(1R)-1-methylolpropyl]ammonium Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2/c1-4-11(9-18)15-8-10-5-6-12-13(7-10)17(3)14(19)16(12)2/h5-7,11,15,18H,4,8-9H2,1-3H3/p+1/t11-/m1/s1