1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-27-19-9-8-17(16-20(19)28-2)23-21(26)22-10-11-24-12-14-25(15-13-24)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H2,22,23,26)/p+1