1-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methoxyphenyl)urea

Systemtic Name: 1-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methoxyphenyl)urea CAS Name: 1-[2-[4-(2,5-dimethoxyphenyl)-1-piperazin-1-iumyl]ethyl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[2-[4-(2,5-dimethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(4-methoxyphenyl)urea Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCC[NH+]2CCN(CC2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCC[NH+]2CCN(CC2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H30N4O4/c1-28-18-6-4-17(5-7-18)24-22(27)23-10-11-25-12-14-26(15-13-25)20-16-19(29-2)8-9-21(20)30-3/h4-9,16H,10-15H2,1-3H3,(H2,23,24,27)/p+1