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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N)O

Isomeric SMILES

COC1=CC=CC=C1OC[C@H](C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N)O

InChI

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