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

Systemtic Name: 1-[[1-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methyl]urea Openeye Name: [1-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]methylurea CAS Name: [1-[1-(1-benzothiophen-2-ylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]methylurea IUPAC Name: [1-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]methylurea Traditional Name: [1-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]methylurea Formula: C18H23N6OS+ MolecularWeight: 371.47982

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)CNC(=O)N)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)CNC(=O)N)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C18H22N6OS/c19-18(25)20-10-14-11-24(22-21-14)15-5-7-23(8-6-15)12-16-9-13-3-1-2-4-17(13)26-16/h1-4,9,11,15H,5-8,10,12H2,(H3,19,20,25)/p+1