[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-5-morpholinosulfonyl-phenyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(2-methyl-5-morpholinosulfonyl-phenyl)methanone Formula: C25H34N3O6S+ MolecularWeight: 504.61896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H33N3O6S/c1-19-4-6-22(35(30,31)28-12-14-34-15-13-28)17-23(19)25(29)27-10-8-26(9-11-27)18-20-16-21(32-2)5-7-24(20)33-3/h4-7,16-17H,8-15,18H2,1-3H3/p+1