N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C21H26N2OS/c24-21(18-15-25-20-11-5-4-10-17(18)20)22-14-19(23-12-6-7-13-23)16-8-2-1-3-9-16/h1-3,8-9,15,19H,4-7,10-14H2,(H,22,24)/p+1/t19-/m0/s1