[3-azanyl-3-methyl-5-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]pentyl]phosphonic acid

Systemtic Name: [3-azanyl-3-methyl-5-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[5-(5-phenylpent-1-ynyl)-2-thienyl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[5-(5-phenylpent-1-ynyl)-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[5-(5-phenylpent-1-ynyl)-2-thienyl]pentyl]phosphonic acid Formula: C21H28NO3PS MolecularWeight: 405.490681

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCCC2=CC=CC=C2)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCCCC2=CC=CC=C2)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H28NO3PS/c1-21(22,16-17-26(23,24)25)15-14-20-13-12-19(27-20)11-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,12-13H,3,6,10,14-17,22H2,1H3,(H2,23,24,25)