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

Systemtic Name: 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C24H29N3O3/c28-23(9-6-16-27-21-7-2-3-8-22(21)30-24(27)29)25-17-19-10-12-20(13-11-19)18-26-14-4-1-5-15-26/h2-3,7-8,10-13H,1,4-6,9,14-18H2,(H,25,28)/p+1