[6-oxidanylidene-6-[3-[phenyl(phenylcarbamoyl)amino]propylamino]hexyl]azanium

Systemtic Name: [6-oxidanylidene-6-[3-[phenyl(phenylcarbamoyl)amino]propylamino]hexyl]azanium Openeye Name: [6-oxo-6-[3-[N-(phenylcarbamoyl)anilino]propylamino]hexyl]ammonium CAS Name: [6-[3-(N-[anilino(oxo)methyl]anilino)propylamino]-6-oxohexyl]ammonium IUPAC Name: [6-oxo-6-[3-[N-(phenylcarbamoyl)anilino]propylamino]hexyl]azanium Traditional Name: [6-keto-6-[3-[N-(phenylcarbamoyl)anilino]propylamino]hexyl]ammonium Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N(CCCNC(=O)CCCCC[NH3+])C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N(CCCNC(=O)CCCCC[NH3+])C2=CC=CC=C2

InChI

InChI=1S/C22H30N4O2/c23-16-9-3-8-15-21(27)24-17-10-18-26(20-13-6-2-7-14-20)22(28)25-19-11-4-1-5-12-19/h1-2,4-7,11-14H,3,8-10,15-18,23H2,(H,24,27)(H,25,28)/p+1