(2S)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: (2S)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)NCC=C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H27N3O5S/c1-3-7-20-19(23)15(2)21-8-10-22(11-9-21)28(24,25)16-5-6-17-18(14-16)27-13-4-12-26-17/h3,5-6,14-15H,1,4,7-13H2,2H3,(H,20,23)/p+1/t15-/m0/s1