[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[4-[(4-methylphenyl)methoxy]phenyl]methanethione

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[4-[(4-methylphenyl)methoxy]phenyl]methanethione Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[4-(p-tolylmethoxy)phenyl]methanethione CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[4-[(4-methylphenyl)methoxy]phenyl]methanethione IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[4-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[4-(4-methylbenzyl)oxyphenyl]methanethione Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=S)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=S)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C21H26N2O2S/c1-17-2-4-18(5-3-17)16-25-20-8-6-19(7-9-20)21(26)23-12-10-22(11-13-23)14-15-24/h2-9,24H,10-16H2,1H3/p+1