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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-piperidinosulfonylphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C24H30N3O5S+ MolecularWeight: 472.5771

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O5S/c28-24(20-5-7-21(8-6-20)33(29,30)27-10-2-1-3-11-27)26-14-12-25(13-15-26)17-19-4-9-22-23(16-19)32-18-31-22/h4-9,16H,1-3,10-15,17-18H2/p+1