3-[2-azanyl-3-[(2S)-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-azanyl-3-[(2S)-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-benzimidazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzimidazol-3-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium Formula: C21H30N4O2+2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC=C(C=C3)OC)O

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2[N+](=C1N)C[C@H](C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H28N4O2/c1-23(2)13-6-14-24-18-7-4-5-8-19(18)25(21(24)22)15-20(26)16-9-11-17(27-3)12-10-16/h4-5,7-12,20,22,26H,6,13-15H2,1-3H3/p+2/t20-/m1/s1