ethyl 4-[4-[[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]methyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H30N5O5S+ MolecularWeight: 488.5798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[N+]3=C(NC4=CC=CC=C43)NCCO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[N+]3=C(NC4=CC=CC=C43)NCCO

InChI

InChI=1S/C23H29N5O5S/c1-2-33-22(30)18-7-9-19(10-8-18)34(31,32)27-14-12-26(13-15-27)17-28-21-6-4-3-5-20(21)25-23(28)24-11-16-29/h3-10,29H,2,11-17H2,1H3,(H,24,25)/p+1