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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-morpholinosulfonylphenyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Traditional Name: 3-(4-morpholinosulfonylphenyl)-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C25H32N3O6S+ MolecularWeight: 502.60308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H31N3O6S/c29-25(8-4-20-1-5-22(6-2-20)35(30,31)28-13-15-32-16-14-28)27-11-9-26(10-12-27)18-21-3-7-23-24(17-21)34-19-33-23/h1-3,5-7,17H,4,8-16,18-19H2/p+1