[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxy-propyl]-(2-thienylmethyl)ammonium CAS Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxy-propyl]-(2-thenyl)ammonium Formula: C23H28NO4S+ MolecularWeight: 414.53772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)OCC(C[NH2+]CC3=CC=CS3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)OC[C@H](C[NH2+]CC3=CC=CS3)O

InChI

InChI=1S/C23H27NO4S/c1-26-20-9-5-17(6-10-20)23(18-7-11-21(27-2)12-8-18)28-16-19(25)14-24-15-22-4-3-13-29-22/h3-13,19,23-25H,14-16H2,1-2H3/p+1/t19-/m0/s1