1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea Openeye Name: 1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea CAS Name: 1-(4-methoxyphenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea Traditional Name: 1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-29-19-9-7-17(8-10-19)22-21(28)24-23-20(27)11-12-25-13-15-26(16-14-25)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,27)(H2,22,24,28)/p+1