4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)OCC(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)OCC(=O)N

InChI

InChI=1S/C22H27N3O3/c23-21(26)16-28-20-10-8-19(9-11-20)22(27)24-14-17-4-6-18(7-5-17)15-25-12-2-1-3-13-25/h4-11H,1-3,12-16H2,(H2,23,26)(H,24,27)/p+1