1-(2-chloranyl-5-methoxy-phenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-(2-chloranyl-5-methoxy-phenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-(2-chloro-5-methoxy-phenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-(2-chloro-5-methoxyphenyl)-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-(2-chloro-5-methoxyphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-(2-chloro-5-methoxy-phenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Formula: C20H26ClN4O2+ MolecularWeight: 389.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2/c1-27-17-7-8-18(21)19(15-17)23-20(26)22-9-10-24-11-13-25(14-12-24)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H2,22,23,26)/p+1