[3-[2-(4-methyl-1,4-diazepan-1-ium-1-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [3-[2-(4-methyl-1,4-diazepan-1-ium-1-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-(4-methyl-1,4-diazepan-1-ium-1-yl)acetyl]amino]phenyl]methylammonium CAS Name: [3-[[2-(4-methyl-1,4-diazepan-1-ium-1-yl)-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-(4-methyl-1,4-diazepan-1-ium-1-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[2-(4-methyl-1,4-diazepan-1-ium-1-yl)acetyl]amino]benzyl]ammonium Formula: C15H26N4O+2 MolecularWeight: 278.39314

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

CN1CCC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C15H24N4O/c1-18-6-3-7-19(9-8-18)12-15(20)17-14-5-2-4-13(10-14)11-16/h2,4-5,10H,3,6-9,11-12,16H2,1H3,(H,17,20)/p+2