(3S)-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol Openeye Name: (3S)-1-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol CAS Name: (3S)-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S)-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol Traditional Name: (3S)-1-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol Formula: C13H20NOS+ MolecularWeight: 238.369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C[NH+]3CCC(C3)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C[NH+]3CC[C@@H](C3)O

InChI

InChI=1S/C13H19NOS/c15-11-5-6-14(8-11)7-10-9-16-13-4-2-1-3-12(10)13/h9,11,15H,1-8H2/p+1/t11-/m0/s1