[4-[3-(azepan-1-ium-1-yl)propanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-(azepan-1-ium-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [4-[3-(azepan-1-ium-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [4-[[3-(1-azepan-1-iumyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-(azepan-1-ium-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [4-[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=C(C=C2)C[NH3+]

Isomeric SMILES

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

InChI

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