(2S)-1-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3-(4-chloranylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-chlorophenoxy)-3-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]propan-2-ol CAS Name: (2S)-1-(4-chlorophenoxy)-3-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-2-propanol IUPAC Name: (2S)-1-(4-chlorophenoxy)-3-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-chlorophenoxy)-3-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]propan-2-ol Formula: C23H30ClN4O2+ MolecularWeight: 429.9629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)C[C@@H](COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H29ClN4O2/c24-18-8-10-20(11-9-18)30-17-19(29)16-28-22-7-3-2-6-21(22)27(23(28)25)15-14-26-12-4-1-5-13-26/h2-3,6-11,19,25,29H,1,4-5,12-17H2/p+1/t19-/m0/s1