4-[[1-[(1-pyridin-1-ium-4-ylpiperidin-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]thiomorpholine

Systemtic Name: 4-[[1-[(1-pyridin-1-ium-4-ylpiperidin-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]thiomorpholine Openeye Name: 4-[[1-[(1-pyridin-1-ium-4-yl-4-piperidyl)methyl]triazol-4-yl]methyl]thiomorpholine CAS Name: 4-[[1-[[1-(4-pyridin-1-iumyl)-4-piperidinyl]methyl]-4-triazolyl]methyl]thiomorpholine IUPAC Name: 4-[[1-[(1-pyridin-1-ium-4-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]thiomorpholine Traditional Name: 4-[[1-[(1-pyridin-1-ium-4-yl-4-piperidyl)methyl]triazol-4-yl]methyl]thiomorpholine Formula: C18H27N6S+ MolecularWeight: 359.51218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=C(N=N2)CN3CCSCC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CN(CCC1CN2C=C(N=N2)CN3CCSCC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C18H26N6S/c1-5-19-6-2-18(1)23-7-3-16(4-8-23)13-24-15-17(20-21-24)14-22-9-11-25-12-10-22/h1-2,5-6,15-16H,3-4,7-14H2/p+1