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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methoxy-4-(p-tolylmethoxy)phenyl]methanethione CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methoxy-4-(4-methylbenzyl)oxy-phenyl]methanethione Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-4-23-11-13-24(14-12-23)22(27)19-9-10-20(21(15-19)25-3)26-16-18-7-5-17(2)6-8-18/h5-10,15H,4,11-14,16H2,1-3H3/p+1