[3-[2-(azepan-1-ium-1-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [3-[2-(azepan-1-ium-1-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-(azepan-1-ium-1-yl)acetyl]amino]phenyl]methylammonium CAS Name: [3-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-(azepan-1-ium-1-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[2-(azepan-1-ium-1-yl)acetyl]amino]benzyl]ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C15H23N3O/c16-11-13-6-5-7-14(10-13)17-15(19)12-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,11-12,16H2,(H,17,19)/p+2