2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4CCCC4)C

InChI

InChI=1S/C21H29N5OS/c1-16-17(2)26(18-7-3-4-8-18)21(23-16)28-15-20(27)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h5-6,9-10,18H,3-4,7-8,11-15H2,1-2H3/p+1