[4-[[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C26H40N3O2+ MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H39N3O2/c1-3-29(4-2)18-20-7-5-19(6-8-20)16-27-25(31)17-28-24(30)15-26-12-21-9-22(13-26)11-23(10-21)14-26/h5-8,21-23H,3-4,9-18H2,1-2H3,(H,27,31)(H,28,30)/p+1