(5-chloranylthiophen-2-yl)methyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonium Formula: C18H20ClN2O2S+ MolecularWeight: 363.8816

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C18H19ClN2O2S/c1-2-9-21(12-17-7-8-18(19)24-17)11-15(22)13-23-16-5-3-14(10-20)4-6-16/h2-8,15,22H,1,9,11-13H2/p+1/t15-/m0/s1