[6-[3-[(2-methylphenyl)carbonyl-phenyl-amino]propylamino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [6-[3-[(2-methylphenyl)carbonyl-phenyl-amino]propylamino]-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[3-(N-(2-methylbenzoyl)anilino)propylamino]-6-oxo-hexyl]ammonium CAS Name: [6-[3-(N-[(2-methylphenyl)-oxomethyl]anilino)propylamino]-6-oxohexyl]ammonium IUPAC Name: [6-[3-(N-(2-methylbenzoyl)anilino)propylamino]-6-oxohexyl]azanium Traditional Name: [6-keto-6-[3-(N-o-toluoylanilino)propylamino]hexyl]ammonium Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CCCNC(=O)CCCCC[NH3+])C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CCCNC(=O)CCCCC[NH3+])C2=CC=CC=C2

InChI

InChI=1S/C23H31N3O2/c1-19-11-7-8-14-21(19)23(28)26(20-12-4-2-5-13-20)18-10-17-25-22(27)15-6-3-9-16-24/h2,4-5,7-8,11-14H,3,6,9-10,15-18,24H2,1H3,(H,25,27)/p+1