[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-methoxy-4-(p-tolylmethoxy)phenyl]methanethione CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[3-methoxy-4-(4-methylbenzyl)oxy-phenyl]methanethione Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-17-3-5-18(6-4-17)16-27-20-8-7-19(15-21(20)26-2)22(28)24-11-9-23(10-12-24)13-14-25/h3-8,15,25H,9-14,16H2,1-2H3/p+1