2-[2-azanylidene-3-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanylidene-3-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[3-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[3-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-imino-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[3-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[3-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C22H30ClN4O2+ MolecularWeight: 417.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4O2/c1-3-25(4-2)13-14-26-20-7-5-6-8-21(20)27(22(26)24)15-18(28)16-29-19-11-9-17(23)10-12-19/h5-12,18,24,28H,3-4,13-16H2,1-2H3/p+1/t18-/m0/s1