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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-methyl-3-piperidinosulfonyl-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C25H32N3O5S+ MolecularWeight: 486.60368

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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)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H31N3O5S/c1-19-5-7-21(16-24(19)34(30,31)28-9-3-2-4-10-28)25(29)27-13-11-26(12-14-27)17-20-6-8-22-23(15-20)33-18-32-22/h5-8,15-16H,2-4,9-14,17-18H2,1H3/p+1