1-(3-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea CAS Name: 1-(3-chlorophenyl)-3-[4-(4-ethyl-1-piperazin-1-iumyl)butyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea Formula: C17H28ClN4O+ MolecularWeight: 339.88342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCCCNC(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCN1CC[NH+](CC1)CCCCNC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H27ClN4O/c1-2-21-10-12-22(13-11-21)9-4-3-8-19-17(23)20-16-7-5-6-15(18)14-16/h5-7,14H,2-4,8-13H2,1H3,(H2,19,20,23)/p+1