2-[[1-[(4-chlorophenyl)carbamoylamino]-3-hexadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-[(4-chlorophenyl)carbamoylamino]-3-hexadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[[(4-chlorophenyl)carbamoylamino]methyl]-2-hexadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-[[(4-chloroanilino)-oxomethyl]amino]-3-hexadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-[(4-chlorophenyl)carbamoylamino]-3-hexadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-[(4-chlorophenyl)carbamoylamino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H58ClN3O6P+ MolecularWeight: 635.235481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNC(=O)NC1=CC=C(C=C1)Cl)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNC(=O)NC1=CC=C(C=C1)Cl)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C31H57ClN3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-39-27-30(41-42(37,38)40-25-23-35(2,3)4)26-33-31(36)34-29-21-19-28(32)20-22-29/h19-22,30H,5-18,23-27H2,1-4H3,(H2-,33,34,36,37,38)/p+1