2-[4-(1,3-benzoxazol-2-ylamino)piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzoxazol-2-ylamino)piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(1,3-benzoxazol-2-ylamino)piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(1,3-benzoxazol-2-ylamino)-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(1,3-benzoxazol-2-ylamino)piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(1,3-benzoxazol-2-ylamino)piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=NC3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=NC3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2/c25-19(21-15-6-2-1-3-7-15)14-24-12-10-16(11-13-24)22-20-23-17-8-4-5-9-18(17)26-20/h1-9,16H,10-14H2,(H,21,25)(H,22,23)/p+1