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

Systemtic Name: 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-methylsulfonylpiperazin-1-ium-1-yl)phenyl]propan-1-one Openeye Name: 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-methylsulfonylpiperazin-1-ium-1-yl)phenyl]propan-1-one CAS Name: 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-methylsulfonyl-1-piperazin-1-iumyl)phenyl]-1-propanone IUPAC Name: 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-methylsulfonylpiperazin-1-ium-1-yl)phenyl]propan-1-one Traditional Name: 1-[4-[4-(2-imidazolin-2-ylamino)phenyl]-2-(1-mesylpiperazin-1-ium-1-yl)phenyl]propan-1-one Formula: C23H30N5O3S+ MolecularWeight: 456.581

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)NC3=NCCN3)[N+]4(CCNCC4)S(=O)(=O)C

Isomeric SMILES

CCC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)NC3=NCCN3)[N+]4(CCNCC4)S(=O)(=O)C

InChI

InChI=1S/C23H29N5O3S/c1-3-22(29)20-9-6-18(16-21(20)28(32(2,30)31)14-12-24-13-15-28)17-4-7-19(8-5-17)27-23-25-10-11-26-23/h4-9,16,24H,3,10-15H2,1-2H3,(H-,25,26,27,29)/p+1