1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]thiophen-2-yl]-4-phenyl-hexan-1-one

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]thiophen-2-yl]-4-phenyl-hexan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-2-thienyl]-4-phenyl-hexan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-2-thiophenyl]-4-phenyl-1-hexanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]thiophen-2-yl]-4-phenylhexan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-2-thienyl]-4-phenyl-hexan-1-one Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C1=CC=C(S1)CCC(CC)(CO)N)C2=CC=CC=C2

Isomeric SMILES

CCC(CCC(=O)C1=CC=C(S1)CCC(CC)(CO)N)C2=CC=CC=C2

InChI

InChI=1S/C22H31NO2S/c1-3-17(18-8-6-5-7-9-18)10-12-20(25)21-13-11-19(26-21)14-15-22(23,4-2)16-24/h5-9,11,13,17,24H,3-4,10,12,14-16,23H2,1-2H3