[4-[[4-chloranyl-3-(pentanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[4-chloranyl-3-(pentanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-chloro-3-(pentanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4-chloro-3-(1-oxopentylamino)anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4-chloro-3-(pentanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[4-chloro-3-(valerylamino)anilino]-4-keto-butyl]ammonium Formula: C15H23ClN3O2+ MolecularWeight: 312.81502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CC(=C1)NC(=O)CCC[NH3+])Cl

Isomeric SMILES

CCCCC(=O)NC1=C(C=CC(=C1)NC(=O)CCC[NH3+])Cl

InChI

InChI=1S/C15H22ClN3O2/c1-2-3-5-15(21)19-13-10-11(7-8-12(13)16)18-14(20)6-4-9-17/h7-8,10H,2-6,9,17H2,1H3,(H,18,20)(H,19,21)/p+1