bis[(4-methylphenyl)carbamoylamino]methyl-[2-(4-chlorophenyl)ethyl]azanium

Systemtic Name: bis[(4-methylphenyl)carbamoylamino]methyl-[2-(4-chlorophenyl)ethyl]azanium Openeye Name: bis(p-tolylcarbamoylamino)methyl-[2-(4-chlorophenyl)ethyl]ammonium CAS Name: bis[[(4-methylanilino)-oxomethyl]amino]methyl-[2-(4-chlorophenyl)ethyl]ammonium IUPAC Name: bis[(4-methylphenyl)carbamoylamino]methyl-[2-(4-chlorophenyl)ethyl]azanium Traditional Name: bis(p-tolylcarbamoylamino)methyl-[2-(4-chlorophenyl)ethyl]ammonium Formula: C25H29ClN5O2+ MolecularWeight: 466.98306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC([NH2+]CCC2=CC=C(C=C2)Cl)NC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC([NH2+]CCC2=CC=C(C=C2)Cl)NC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C25H28ClN5O2/c1-17-3-11-21(12-4-17)28-24(32)30-23(27-16-15-19-7-9-20(26)10-8-19)31-25(33)29-22-13-5-18(2)6-14-22/h3-14,23,27H,15-16H2,1-2H3,(H2,28,30,32)(H2,29,31,33)/p+1