[2-azanyl-2-methyl-4-[1-methyl-5-[(E)-5-phenylpent-1-enyl]pyrrol-2-yl]butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-2-methyl-4-[1-methyl-5-[(E)-5-phenylpent-1-enyl]pyrrol-2-yl]butyl] dihydrogen phosphate Openeye Name: [2-amino-2-methyl-4-[1-methyl-5-[(E)-5-phenylpent-1-enyl]pyrrol-2-yl]butyl] dihydrogen phosphate CAS Name: [2-amino-2-methyl-4-[1-methyl-5-[(E)-5-phenylpent-1-enyl]-2-pyrrolyl]butyl] dihydrogen phosphate IUPAC Name: [2-amino-2-methyl-4-[1-methyl-5-[(E)-5-phenylpent-1-enyl]pyrrol-2-yl]butyl] dihydrogen phosphate Traditional Name: [2-amino-2-methyl-4-[1-methyl-5-[(E)-5-phenylpent-1-enyl]pyrrol-2-yl]butyl] dihydrogen phosphate Formula: C21H31N2O4P MolecularWeight: 406.455601

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C=CCCCC2=CC=CC=C2)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)/C=C/CCCC2=CC=CC=C2)(COP(=O)(O)O)N

InChI

InChI=1S/C21H31N2O4P/c1-21(22,17-27-28(24,25)26)16-15-20-14-13-19(23(20)2)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,8-10,12-14H,4,7,11,15-17,22H2,1-2H3,(H2,24,25,26)/b12-8+