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

Systemtic Name: [1-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[(3S)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[(3S)-1-(1-benzothiophen-2-ylmethyl)-3-piperidin-1-iumyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[(3S)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]-pyrrolidino-methanone Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C21H25N5OS/c27-21(25-10-3-4-11-25)19-15-26(23-22-19)17-7-5-9-24(13-17)14-18-12-16-6-1-2-8-20(16)28-18/h1-2,6,8,12,15,17H,3-5,7,9-11,13-14H2/p+1/t17-/m0/s1