diethyl-[[2-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]methyl]benzyl]ammonium Formula: C25H37N3O+2 MolecularWeight: 395.58078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C25H35N3O/c1-3-27(4-2)20-24-11-7-6-10-23(24)18-26-25(29)22-14-12-21(13-15-22)19-28-16-8-5-9-17-28/h6-7,10-15H,3-5,8-9,16-20H2,1-2H3,(H,26,29)/p+2