[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]ammonium CAS Name: [(1R)-1-(1-methyl-2-benzimidazolyl)ethyl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]ammonium Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C(C)C1=NC2=CC=CC=C2N1C

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+][C@H](C)C1=NC2=CC=CC=C2N1C

InChI

InChI=1S/C17H27N3/c1-12(2)10-11-13(3)18-14(4)17-19-15-8-6-7-9-16(15)20(17)5/h6-9,12-14,18H,10-11H2,1-5H3/p+1/t13-,14+/m0/s1