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

Systemtic Name: N-[3-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(S)-4-morpholin-4-iumyl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=NC=C3)[NH+]4CCOCC4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)[C@H](C3=CC=NC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C20H25N3O2S/c1-14(24)22-20-18(16-4-2-3-5-17(16)26-20)19(15-6-8-21-9-7-15)23-10-12-25-13-11-23/h6-9,19H,2-5,10-13H2,1H3,(H,22,24)/p+1/t19-/m0/s1