[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholinosulfonylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-morpholinosulfonylphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H28N3O6S+ MolecularWeight: 474.54992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H27N3O6S/c27-23(19-2-4-20(5-3-19)33(28,29)26-11-13-30-14-12-26)25-9-7-24(8-10-25)16-18-1-6-21-22(15-18)32-17-31-21/h1-6,15H,7-14,16-17H2/p+1