3-[(2S)-5-(diethylamino)pentan-2-yl]-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-[(2S)-5-(diethylamino)pentan-2-yl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-[(1S)-4-(diethylamino)-1-methyl-butyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[(2S)-5-(diethylamino)pentan-2-yl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-[(2S)-5-(diethylamino)pentan-2-yl]-1H-benzimidazol-3-ium-2-amine Traditional Name: [(4S)-4-(2-amino-3H-benzimidazol-1-ium-1-yl)pentyl]-diethyl-amine Formula: C16H27N4+ MolecularWeight: 275.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)[N+]1=C(NC2=CC=CC=C21)N

Isomeric SMILES

CCN(CC)CCC[C@H](C)[N+]1=C(NC2=CC=CC=C21)N

InChI

InChI=1S/C16H26N4/c1-4-19(5-2)12-8-9-13(3)20-15-11-7-6-10-14(15)18-16(20)17/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H2,17,18)/p+1/t13-/m0/s1