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

Systemtic Name: (2S)-1-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[2-amino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazol-1-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=CC=CC=C3[N+](=C2N)CC(COC4=CC=CC=C4)O

Isomeric SMILES

C1COCC[NH+]1CCN2C3=CC=CC=C3[N+](=C2N)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C22H28N4O3/c23-22-25(11-10-24-12-14-28-15-13-24)20-8-4-5-9-21(20)26(22)16-18(27)17-29-19-6-2-1-3-7-19/h1-9,18,23,27H,10-17H2/p+2/t18-/m0/s1