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

Systemtic Name: (2S)-1-[2-azanyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-[2-amino-3-[2-(4-morpholinyl)ethyl]-1-benzimidazol-1-iumyl]-3-(4-methoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[2-amino-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)N)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@H](C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)N)O

InChI

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