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

Systemtic Name: (2S)-1-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-3-(2-methoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-3-(2-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-[2-amino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazol-1-iumyl]-3-(2-methoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-3-(2-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-3-(2-methoxyphenoxy)propan-2-ol Formula: C23H32N4O4+2 MolecularWeight: 428.52458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCOCC4)N)O

Isomeric SMILES

COC1=CC=CC=C1OC[C@H](C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCOCC4)N)O

InChI

InChI=1S/C23H30N4O4/c1-29-21-8-4-5-9-22(21)31-17-18(28)16-27-20-7-3-2-6-19(20)26(23(27)24)11-10-25-12-14-30-15-13-25/h2-9,18,24,28H,10-17H2,1H3/p+2/t18-/m0/s1