3-(benzimidazol-1-yl)propyl-[(2S)-heptan-2-yl]azanium

Systemtic Name: 3-(benzimidazol-1-yl)propyl-[(2S)-heptan-2-yl]azanium Openeye Name: 3-(benzimidazol-1-yl)propyl-[(1S)-1-methylhexyl]ammonium CAS Name: 3-(1-benzimidazolyl)propyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: 3-(benzimidazol-1-yl)propyl-[(2S)-heptan-2-yl]azanium Traditional Name: 3-(benzimidazol-1-yl)propyl-[(1S)-1-methylhexyl]ammonium Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCCN1C=NC2=CC=CC=C21

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCCN1C=NC2=CC=CC=C21

InChI

InChI=1S/C17H27N3/c1-3-4-5-9-15(2)18-12-8-13-20-14-19-16-10-6-7-11-17(16)20/h6-7,10-11,14-15,18H,3-5,8-9,12-13H2,1-2H3/p+1/t15-/m0/s1