[(S)-(4-methylphenyl)-phenyl-methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(S)-(4-methylphenyl)-phenyl-methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl]-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: [(S)-(4-methylphenyl)-phenylmethyl]-[2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: [(S)-(4-methylphenyl)-phenylmethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: [2-(isobutylcarbamoylamino)-2-keto-ethyl]-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH2+]CC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H27N3O2/c1-15(2)13-23-21(26)24-19(25)14-22-20(17-7-5-4-6-8-17)18-11-9-16(3)10-12-18/h4-12,15,20,22H,13-14H2,1-3H3,(H2,23,24,25,26)/p+1/t20-/m0/s1