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

Systemtic Name: 1-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(1-propylsulfonylpiperazin-1-ium-1-yl)cyclohexa-2,4-dien-1-yl]propan-1-one Openeye Name: 1-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(1-propylsulfonylpiperazin-1-ium-1-yl)cyclohexa-2,4-dien-1-yl]propan-1-one CAS Name: 1-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(1-propylsulfonyl-1-piperazin-1-iumyl)-1-cyclohexa-2,4-dienyl]-1-propanone IUPAC Name: 1-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(1-propylsulfonylpiperazin-1-ium-1-yl)cyclohexa-2,4-dien-1-yl]propan-1-one Traditional Name: 1-[2-[4-(2-imidazolin-2-ylamino)phenyl]-1-(1-propylsulfonylpiperazin-1-ium-1-yl)cyclohexa-2,4-dien-1-yl]propan-1-one Formula: C25H36N5O3S+ MolecularWeight: 486.65004

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[N+]1(CCNCC1)C2(CC=CC=C2C3=CC=C(C=C3)NC4=NCCN4)C(=O)CC

Isomeric SMILES

CCCS(=O)(=O)[N+]1(CCNCC1)C2(CC=CC=C2C3=CC=C(C=C3)NC4=NCCN4)C(=O)CC

InChI

InChI=1S/C25H36N5O3S/c1-3-19-34(32,33)30(17-15-26-16-18-30)25(23(31)4-2)12-6-5-7-22(25)20-8-10-21(11-9-20)29-24-27-13-14-28-24/h5-11,26H,3-4,12-19H2,1-2H3,(H2,27,28,29)/q+1