N-[3-[(R)-pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-[(R)-pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(R)-2-pyridyl(pyrrolidin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(R)-2-pyridinyl(1-pyrrolidin-1-iumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(R)-pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(R)-2-pyridyl(pyrrolidin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=N3)[NH+]4CCCC4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)[C@H](C3=CC=CC=N3)[NH+]4CCCC4

InChI

InChI=1S/C20H25N3OS/c1-14(24)22-20-18(15-8-2-3-10-17(15)25-20)19(23-12-6-7-13-23)16-9-4-5-11-21-16/h4-5,9,11,19H,2-3,6-8,10,12-13H2,1H3,(H,22,24)/p+1/t19-/m0/s1