[(1S)-2-[[3-(furan-2-ylcarbonylamino)-4-methyl-phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[3-(furan-2-ylcarbonylamino)-4-methyl-phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[3-[[2-furanyl(oxo)methyl]amino]-4-methylphenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[3-(2-furoylamino)-4-methyl-benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H25N3O3/c1-16-11-12-18(14-19(16)25-23(28)21-10-7-13-29-21)22(27)24-15-20(26(2)3)17-8-5-4-6-9-17/h4-14,20H,15H2,1-3H3,(H,24,27)(H,25,28)/p+1/t20-/m1/s1