2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N,N-dicyclohexylacetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexylacetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexyl-acetamide Formula: C25H38N5O+ MolecularWeight: 424.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H37N5O/c31-25(29(20-9-3-1-4-10-20)21-11-5-2-6-12-21)19-28-17-15-22(16-18-28)30-24-14-8-7-13-23(24)26-27-30/h7-8,13-14,20-22H,1-6,9-12,15-19H2/p+1