1-adamantyl-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 1-adamantyl-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-(2-thienylmethyl)ammonium CAS Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-(2-thenyl)ammonium Formula: C25H34NO2S+ MolecularWeight: 412.60796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH+](CC2=CC=CS2)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[NH+](CC2=CC=CS2)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C25H33NO2S/c1-18-5-2-3-7-24(18)28-17-22(27)15-26(16-23-6-4-8-29-23)25-12-19-9-20(13-25)11-21(10-19)14-25/h2-8,19-22,27H,9-17H2,1H3/p+1/t19?,20?,21?,22-,25?/m0/s1