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

Systemtic Name: 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H27N3O3/c27-22(12-15-26-20-10-4-5-11-21(20)29-23(26)28)24-16-18-8-2-3-9-19(18)17-25-13-6-1-7-14-25/h2-5,8-11H,1,6-7,12-17H2,(H,24,27)/p+1