2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(3-morpholinosulfonylphenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(3-morpholinosulfonylbenzyl)piperazin-4-ium-1-yl]phenol Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4O

InChI

InChI=1S/C21H27N3O4S/c25-21-7-2-1-6-20(21)23-10-8-22(9-11-23)17-18-4-3-5-19(16-18)29(26,27)24-12-14-28-15-13-24/h1-7,16,25H,8-15,17H2/p+1