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

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1,2-benzoxazol-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1,2-benzoxazol-3-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,2-benzoxazol-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-indoxazen-3-yl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O2/c26-22(14-20-19-6-2-3-7-21(19)27-24-20)23-15-17-8-10-18(11-9-17)16-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2,(H,23,26)/p+1