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

Systemtic Name: 1-adamantyl-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 1-adamantyl-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]-(2-thienylmethyl)ammonium CAS Name: 1-adamantyl-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 1-adamantyl-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 1-adamantyl-[(2S)-3-(2-chlorobenzyl)oxy-2-hydroxy-propyl]-(2-thenyl)ammonium Formula: C25H33ClNO2S+ MolecularWeight: 447.05302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH+](CC4=CC=CS4)CC(COCC5=CC=CC=C5Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH+](CC4=CC=CS4)C[C@@H](COCC5=CC=CC=C5Cl)O

InChI

InChI=1S/C25H32ClNO2S/c26-24-6-2-1-4-21(24)16-29-17-22(28)14-27(15-23-5-3-7-30-23)25-11-18-8-19(12-25)10-20(9-18)13-25/h1-7,18-20,22,28H,8-17H2/p+1/t18?,19?,20?,22-,25?/m0/s1