(2S)-1-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]-3-(4-methoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Formula: C24H34N4O3+2 MolecularWeight: 426.55176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@H](C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N)O

InChI

InChI=1S/C24H32N4O3/c1-30-20-9-11-21(12-10-20)31-18-19(29)17-28-23-8-4-3-7-22(23)27(24(28)25)16-15-26-13-5-2-6-14-26/h3-4,7-12,19,25,29H,2,5-6,13-18H2,1H3/p+2/t19-/m0/s1