(4-ethylpiperazin-4-ium-1-yl)-[3-[(4-methylphenyl)methoxy]phenyl]methanethione

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-[(4-methylphenyl)methoxy]phenyl]methanethione Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[3-(p-tolylmethoxy)phenyl]methanethione CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-[(4-methylphenyl)methoxy]phenyl]methanethione IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[3-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[3-(4-methylbenzyl)oxyphenyl]methanethione Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)C2=CC(=CC=C2)OCC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)C2=CC(=CC=C2)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2OS/c1-3-22-11-13-23(14-12-22)21(25)19-5-4-6-20(15-19)24-16-18-9-7-17(2)8-10-18/h4-10,15H,3,11-14,16H2,1-2H3/p+1