[4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenyl] phosphate; piperidin-1-ium

Systemtic Name: [4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenyl] phosphate; piperidin-1-ium Openeye Name: [4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-(4-isopropylphenyl)but-1-enyl]phenyl] phosphate; piperidin-1-ium CAS Name: [4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenyl] phosphate; piperidin-1-ium IUPAC Name: [4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenyl] phosphate; piperidin-1-ium Traditional Name: [4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-p-cumenyl-but-1-enyl]phenyl] phosphate; piperidin-1-ium Formula: C39H58N3O5P MolecularWeight: 679.868681

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OP(=O)([O-])[O-])C3=CC=C(C=C3)C(C)C.C1CC[NH2+]CC1.C1CC[NH2+]CC1

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC=C(C=C2)OP(=O)([O-])[O-])/C3=CC=C(C=C3)C(C)C.C1CC[NH2+]CC1.C1CC[NH2+]CC1

InChI

InChI=1S/C29H36NO5P.2C5H11N/c1-6-28(23-9-7-22(8-10-23)21(2)3)29(25-13-17-27(18-14-25)35-36(31,32)33)24-11-15-26(16-12-24)34-20-19-30(4)5;2*1-2-4-6-5-3-1/h7-18,21H,6,19-20H2,1-5H3,(H2,31,32,33);2*6H,1-5H2/b29-28+;;