1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-(o-tolyl)thiourea CAS Name: 1-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-(o-tolyl)thiourea Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4OS/c1-18-6-3-4-7-21(18)24-22(28)23-12-5-13-25-14-16-26(17-15-25)19-8-10-20(27-2)11-9-19/h3-4,6-11H,5,12-17H2,1-2H3,(H2,23,24,28)/p+1