(2S)-1-(azepan-1-ium-1-yl)-3-[4-chloranyl-2-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-[4-chloranyl-2-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-[4-chloro-2-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-[4-chloro-2-(1-pyrrolidin-1-iumylmethyl)phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-[4-chloro-2-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-[4-chloro-2-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propan-2-ol Formula: C20H33ClN2O2+2 MolecularWeight: 368.94122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=C(C=C(C=C2)Cl)C[NH+]3CCCC3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=C(C=C(C=C2)Cl)C[NH+]3CCCC3)O

InChI

InChI=1S/C20H31ClN2O2/c21-18-7-8-20(17(13-18)14-22-11-5-6-12-22)25-16-19(24)15-23-9-3-1-2-4-10-23/h7-8,13,19,24H,1-6,9-12,14-16H2/p+2/t19-/m0/s1