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

Systemtic Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol Openeye Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol CAS Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol Traditional Name: (3S)-3-phenyl-1-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol Formula: C19H24NOS+ MolecularWeight: 314.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C[NH+]3CCC(C3)(C4=CC=CC=C4)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C[NH+]3CC[C@@](C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C19H23NOS/c21-19(16-6-2-1-3-7-16)10-11-20(14-19)12-15-13-22-18-9-5-4-8-17(15)18/h1-3,6-7,13,21H,4-5,8-12,14H2/p+1/t19-/m1/s1