1-[4-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-cyclopentyl-4,5-dimethyl-2-thioxo-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-cyclopentyl-4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H33N4OS+ MolecularWeight: 413.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C4CCCC4)C

InChI

InChI=1S/C23H32N4OS/c1-17-18(2)27(22-6-4-5-7-22)23(29)26(17)16-24-12-14-25(15-13-24)21-10-8-20(9-11-21)19(3)28/h8-11,22H,4-7,12-16H2,1-3H3/p+1