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

Systemtic Name: (2R)-N-cyclopropyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclopropyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclopropyl-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)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H27N3O5S/c1-14(19(23)20-15-3-4-15)21-7-9-22(10-8-21)28(24,25)16-5-6-17-18(13-16)27-12-2-11-26-17/h5-6,13-15H,2-4,7-12H2,1H3,(H,20,23)/p+1/t14-/m1/s1