[1-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-morpholin-4-yl-methanone

Systemtic Name: [1-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-morpholino-methanone CAS Name: [1-[1-(1-benzothiophen-2-ylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]-(4-morpholinyl)methanone IUPAC Name: [1-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-morpholin-4-ylmethanone Traditional Name: [1-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-morpholino-methanone Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C(=O)N3CCOCC3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C(=O)N3CCOCC3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C21H25N5O2S/c27-21(25-9-11-28-12-10-25)19-15-26(23-22-19)17-5-7-24(8-6-17)14-18-13-16-3-1-2-4-20(16)29-18/h1-4,13,15,17H,5-12,14H2/p+1