(1S)-2-[2-azanyl-3-[3-(dimethylamino)propyl]benzimidazol-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[2-azanyl-3-[3-(dimethylamino)propyl]benzimidazol-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[2-amino-3-[3-(dimethylamino)propyl]benzimidazol-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[2-amino-3-[3-(dimethylamino)propyl]-1-benzimidazol-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[2-amino-3-[3-(dimethylamino)propyl]benzimidazol-1-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[2-amino-3-[3-(dimethylamino)propyl]benzimidazol-1-ium-1-yl]-1-phenyl-ethanol Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC=CC=C3)O

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2[N+](=C1N)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C20H26N4O/c1-22(2)13-8-14-23-17-11-6-7-12-18(17)24(20(23)21)15-19(25)16-9-4-3-5-10-16/h3-7,9-12,19,21,25H,8,13-15H2,1-2H3/p+1/t19-/m1/s1