1-cyclopentyl-4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-imidazolethione IUPAC Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C21H31N4S+ MolecularWeight: 371.56264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4S/c1-17-18(2)25(20-10-6-7-11-20)21(26)24(17)16-22-12-14-23(15-13-22)19-8-4-3-5-9-19/h3-5,8-9,20H,6-7,10-16H2,1-2H3/p+1