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

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C16H24N3O5S+ MolecularWeight: 370.44386

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC(=O)N)OC1

InChI

InChI=1S/C16H23N3O5S/c17-16(20)4-5-18-6-8-19(9-7-18)25(21,22)13-2-3-14-15(12-13)24-11-1-10-23-14/h2-3,12H,1,4-11H2,(H2,17,20)/p+1