2-[2-azanylidene-3-[(2S)-2-oxidanyl-3-phenoxy-propyl]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanylidene-3-[(2S)-2-oxidanyl-3-phenoxy-propyl]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: diethyl-[2-[3-[(2S)-2-hydroxy-3-phenoxy-propyl]-2-imino-benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[3-[(2S)-2-hydroxy-3-phenoxypropyl]-2-imino-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[3-[(2S)-2-hydroxy-3-phenoxypropyl]-2-iminobenzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[3-[(2S)-2-hydroxy-3-phenoxy-propyl]-2-imino-benzimidazol-1-yl]ethyl]ammonium Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N4O2/c1-3-24(4-2)14-15-25-20-12-8-9-13-21(20)26(22(25)23)16-18(27)17-28-19-10-6-5-7-11-19/h5-13,18,23,27H,3-4,14-17H2,1-2H3/p+1/t18-/m0/s1