(2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C14H21ClNO2+ MolecularWeight: 270.77504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CCCC2)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CCCC2)O)Cl

InChI

InChI=1S/C14H20ClNO2/c1-11-8-13(4-5-14(11)15)18-10-12(17)9-16-6-2-3-7-16/h4-5,8,12,17H,2-3,6-7,9-10H2,1H3/p+1/t12-/m0/s1