2-[4-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C25H34N5O4S+ MolecularWeight: 500.63356

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C5=CC=CC=C5O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C5=CC=CC=C5O

InChI

InChI=1S/C25H33N5O4S/c1-2-9-30-22-8-7-20(35(32,33)29-14-16-34-17-15-29)18-21(22)26-25(30)19-27-10-12-28(13-11-27)23-5-3-4-6-24(23)31/h3-8,18,31H,2,9-17,19H2,1H3/p+1