dimethyl-[(2S)-1-[3-[(3-methylphenyl)carbonylamino]propanoylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-[3-[(3-methylphenyl)carbonylamino]propanoylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[3-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-[3-[(3-methylbenzoyl)amino]propanoylamino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[3-(m-toluoylamino)propanoylamino]ethyl]-dimethyl-ammonium Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C22H29N3O2/c1-17-8-7-11-19(14-17)22(27)23-13-12-21(26)24-16-20(25(2)3)15-18-9-5-4-6-10-18/h4-11,14,20H,12-13,15-16H2,1-3H3,(H,23,27)(H,24,26)/p+1/t20-/m0/s1