trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxidanylidene-2-[7-(4-phenylphenyl)heptylcarbamoylamino]butyl]azanium

Systemtic Name: trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxidanylidene-2-[7-(4-phenylphenyl)heptylcarbamoylamino]butyl]azanium Openeye Name: [(2R)-4-isobutoxy-4-oxo-2-[7-(4-phenylphenyl)heptylcarbamoylamino]butyl]-trimethyl-ammonium CAS Name: trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxo-2-[[oxo-[7-(4-phenylphenyl)heptylamino]methyl]amino]butyl]ammonium IUPAC Name: trimethyl-[(2R)-4-(2-methylpropoxy)-4-oxo-2-[7-(4-phenylphenyl)heptylcarbamoylamino]butyl]azanium Traditional Name: [(2R)-4-isobutoxy-4-keto-2-[7-(4-phenylphenyl)heptylcarbamoylamino]butyl]-trimethyl-ammonium Formula: C31H48N3O3+ MolecularWeight: 510.73112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC(C[N+](C)(C)C)NC(=O)NCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)COC(=O)C[C@H](C[N+](C)(C)C)NC(=O)NCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C31H47N3O3/c1-25(2)24-37-30(35)22-29(23-34(3,4)5)33-31(36)32-21-13-8-6-7-10-14-26-17-19-28(20-18-26)27-15-11-9-12-16-27/h9,11-12,15-20,25,29H,6-8,10,13-14,21-24H2,1-5H3,(H-,32,33,36)/p+1/t29-/m1/s1