2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3N=N2)CC(=O)NCC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3N=N2)CC(=O)NCC4=CC=CS4

InChI

InChI=1S/C18H21N5OS/c24-18(19-12-15-4-3-11-25-15)13-22-9-7-14(8-10-22)23-17-6-2-1-5-16(17)20-21-23/h1-6,11,14H,7-10,12-13H2,(H,19,24)/p+1