[2-[5-(2-cyanopropyl)-2-methyl-phenyl]-2-phosphonooxy-ethyl]-trimethyl-azanium

Systemtic Name: [2-[5-(2-cyanopropyl)-2-methyl-phenyl]-2-phosphonooxy-ethyl]-trimethyl-azanium Openeye Name: [2-[5-(2-cyanopropyl)-2-methyl-phenyl]-2-phosphonooxy-ethyl]-trimethyl-ammonium CAS Name: [2-[5-(2-cyanopropyl)-2-methylphenyl]-2-phosphonooxyethyl]-trimethylammonium IUPAC Name: [2-[5-(2-cyanopropyl)-2-methylphenyl]-2-phosphonooxyethyl]-trimethylazanium Traditional Name: [2-[5-(2-cyanopropyl)-2-methyl-phenyl]-2-phosphonooxy-ethyl]-trimethyl-ammonium Formula: C16H26N2O4P+ MolecularWeight: 341.362401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(C)C#N)C(C[N+](C)(C)C)OP(=O)(O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CC(C)C#N)C(C[N+](C)(C)C)OP(=O)(O)O

InChI

InChI=1S/C16H25N2O4P/c1-12(10-17)8-14-7-6-13(2)15(9-14)16(11-18(3,4)5)22-23(19,20)21/h6-7,9,12,16H,8,11H2,1-5H3,(H-,19,20,21)/p+1