(4-butoxy-3-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: (4-butoxy-3-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: (4-butoxy-3-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-butoxy-3-methoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (4-butoxy-3-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: (4-butoxy-3-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C17H26N2O2S/c1-4-5-12-21-15-7-6-14(13-16(15)20-3)17(22)19-10-8-18(2)9-11-19/h6-7,13H,4-5,8-12H2,1-3H3/p+1