(2-cyclopropyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone

Systemtic Name: (2-cyclopropyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone Openeye Name: (2-cyclopropyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)methanone CAS Name: (2-cyclopropyl-1,3-benzoxazol-6-yl)-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: (2-cyclopropyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone Traditional Name: (2-cyclopropyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-ylpiperidino)methanone Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCC(CC4)[NH+]5CCSCC5

Isomeric SMILES

C1CC1C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCC(CC4)[NH+]5CCSCC5

InChI

InChI=1S/C20H25N3O2S/c24-20(23-7-5-16(6-8-23)22-9-11-26-12-10-22)15-3-4-17-18(13-15)25-19(21-17)14-1-2-14/h3-4,13-14,16H,1-2,5-12H2/p+1