3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propionamide Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O5S/c27-23(25-19-9-12-26(13-10-19)17-18-4-2-1-3-5-18)8-11-24-32(28,29)20-6-7-21-22(16-20)31-15-14-30-21/h1-7,16,19,24H,8-15,17H2,(H,25,27)/p+1