[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-yl]-thiomorpholino-methanone CAS Name: [1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-4-piperidin-1-iumyl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-yl]-thiomorpholino-methanone Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCSCC2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCSCC2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H30N4O2S/c27-21(25-13-15-29-16-14-25)17-5-9-24(10-6-17)18-7-11-26(12-8-18)22-23-19-3-1-2-4-20(19)28-22/h1-4,17-18H,5-16H2/p+1