4-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-propyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C25H34N5O3S+ MolecularWeight: 484.63416

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O3S/c1-2-10-30-24-9-8-22(34(31,32)29-15-17-33-18-16-29)19-23(24)26-25(30)20-27-11-13-28(14-12-27)21-6-4-3-5-7-21/h3-9,19H,2,10-18,20H2,1H3/p+1