dimethyl-[(1S)-1-phenyl-2-[[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylamino]ethyl]azanium Openeye Name: [(1S)-2-[[4-[(isopropylcarbamoylamino)methyl]benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]azanium Traditional Name: [(1S)-2-[[4-[(isopropylcarbamoylamino)methyl]benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C22H30N4O2/c1-16(2)25-22(28)24-14-17-10-12-19(13-11-17)21(27)23-15-20(26(3)4)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,23,27)(H2,24,25,28)/p+1/t20-/m1/s1