[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: [4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: [4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: [4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: [4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: [4-(4-bromobenzyl)oxy-3-methoxy-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C20H24BrN2O2S+ MolecularWeight: 436.38576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O2S/c1-22-9-11-23(12-10-22)20(26)16-5-8-18(19(13-16)24-2)25-14-15-3-6-17(21)7-4-15/h3-8,13H,9-12,14H2,1-2H3/p+1