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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]ammonium Formula: C17H20ClN2O4S+ MolecularWeight: 383.8697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-2-8-19(11-16-6-7-17(18)25-16)10-14(21)12-24-15-5-3-4-13(9-15)20(22)23/h2-7,9,14,21H,1,8,10-12H2/p+1/t14-/m0/s1