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

Systemtic Name: (2S)-1-[2-azanyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[2-amino-3-[2-(4-morpholinyl)ethyl]-1-benzimidazol-1-iumyl]-3-(3-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-[2-amino-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)N)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[N+]2=C(N(C3=CC=CC=C32)CCN4CCOCC4)N)O

InChI

InChI=1S/C23H30N4O3/c1-18-5-4-6-20(15-18)30-17-19(28)16-27-22-8-3-2-7-21(22)26(23(27)24)10-9-25-11-13-29-14-12-25/h2-8,15,19,24,28H,9-14,16-17H2,1H3/p+1/t19-/m0/s1