3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-(thian-4-yl)azanium

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-(thian-4-yl)azanium Openeye Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: 3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl-(4-thianyl)ammonium IUPAC Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-(thian-4-yl)azanium Traditional Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-tetrahydrothiopyran-4-yl-ammonium Formula: C19H33N3OS+2 MolecularWeight: 351.54982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC[NH2+]C3CCSCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC[NH2+]C3CCSCC3

InChI

InChI=1S/C19H31N3OS/c1-23-19-5-3-18(4-6-19)22-13-11-21(12-14-22)10-2-9-20-17-7-15-24-16-8-17/h3-6,17,20H,2,7-16H2,1H3/p+2