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

Systemtic Name: (2S)-1-[2-azanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]-3-(4-chloranylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-chlorophenoxy)-3-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]propan-2-ol CAS Name: (2S)-1-(4-chlorophenoxy)-3-[2-imino-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzimidazolyl]-2-propanol IUPAC Name: (2S)-1-(4-chlorophenoxy)-3-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-chlorophenoxy)-3-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]propan-2-ol Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C3=CC=CC=C3N(C2=N)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](C1)CCN2C3=CC=CC=C3N(C2=N)C[C@@H](COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H27ClN4O2/c23-17-7-9-19(10-8-17)29-16-18(28)15-27-21-6-2-1-5-20(21)26(22(27)24)14-13-25-11-3-4-12-25/h1-2,5-10,18,24,28H,3-4,11-16H2/p+1/t18-/m0/s1