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

Systemtic Name: [3-[3-(azepan-1-ium-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [3-[3-(azepan-1-ium-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [3-[[3-(1-azepan-1-iumyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[3-(azepan-1-ium-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [3-[3-(azepan-1-ium-1-yl)propanoylamino]benzyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c17-13-14-6-5-7-15(12-14)18-16(20)8-11-19-9-3-1-2-4-10-19/h5-7,12H,1-4,8-11,13,17H2,(H,18,20)/p+2