1-(3-methoxyphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C16H28N4OS+2 MolecularWeight: 324.48472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H26N4OS/c1-19-9-11-20(12-10-19)8-4-7-17-16(22)18-14-5-3-6-15(13-14)21-2/h3,5-6,13H,4,7-12H2,1-2H3,(H2,17,18,22)/p+2