cyclohexyl-methyl-[3-[[2-[(4-methylphenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]carbonylamino]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[3-[[2-[(4-methylphenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]carbonylamino]propyl]azanium Openeye Name: cyclohexyl-methyl-[3-[[3-oxo-2-(p-tolylmethyl)isoindoline-1-carbonyl]amino]propyl]ammonium CAS Name: cyclohexyl-methyl-[3-[[[2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindol-1-yl]-oxomethyl]amino]propyl]ammonium IUPAC Name: cyclohexyl-methyl-[3-[[2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carbonyl]amino]propyl]azanium Traditional Name: cyclohexyl-[3-[[3-keto-2-(4-methylbenzyl)isoindoline-1-carbonyl]amino]propyl]-methyl-ammonium Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCCC[NH+](C)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCCC[NH+](C)C4CCCCC4

InChI

InChI=1S/C27H35N3O2/c1-20-13-15-21(16-14-20)19-30-25(23-11-6-7-12-24(23)27(30)32)26(31)28-17-8-18-29(2)22-9-4-3-5-10-22/h6-7,11-16,22,25H,3-5,8-10,17-19H2,1-2H3,(H,28,31)/p+1