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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-methyl-3-morpholinosulfonyl-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C24H30N3O6S+ MolecularWeight: 488.5765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C24H29N3O6S/c1-18-2-4-20(15-23(18)34(29,30)27-10-12-31-13-11-27)24(28)26-8-6-25(7-9-26)16-19-3-5-21-22(14-19)33-17-32-21/h2-5,14-15H,6-13,16-17H2,1H3/p+1