1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-propylsulfonylpiperazin-1-ium-1-yl)phenyl]propan-1-one

Systemtic Name: 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-propylsulfonylpiperazin-1-ium-1-yl)phenyl]propan-1-one Openeye Name: 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-propylsulfonylpiperazin-1-ium-1-yl)phenyl]propan-1-one CAS Name: 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-propylsulfonyl-1-piperazin-1-iumyl)phenyl]-1-propanone IUPAC Name: 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-propylsulfonylpiperazin-1-ium-1-yl)phenyl]propan-1-one Traditional Name: 1-[4-[4-(2-imidazolin-2-ylamino)phenyl]-2-(1-propylsulfonylpiperazin-1-ium-1-yl)phenyl]propan-1-one Formula: C25H34N5O3S+ MolecularWeight: 484.63416

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[N+]1(CCNCC1)C2=C(C=CC(=C2)C3=CC=C(C=C3)NC4=NCCN4)C(=O)CC

Isomeric SMILES

CCCS(=O)(=O)[N+]1(CCNCC1)C2=C(C=CC(=C2)C3=CC=C(C=C3)NC4=NCCN4)C(=O)CC

InChI

InChI=1S/C25H33N5O3S/c1-3-17-34(32,33)30(15-13-26-14-16-30)23-18-20(7-10-22(23)24(31)4-2)19-5-8-21(9-6-19)29-25-27-11-12-28-25/h5-10,18,26H,3-4,11-17H2,1-2H3,(H-,27,28,29,31)/p+1