1-[6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]urea Openeye Name: [6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-6-oxo-hexyl]urea CAS Name: [6-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-6-oxohexyl]urea IUPAC Name: [6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-6-oxohexyl]urea Traditional Name: [6-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-6-keto-hexyl]urea Formula: C18H28ClN4O2+ MolecularWeight: 367.89352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCCCCNC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CCCCCNC(=O)N

InChI

InChI=1S/C18H27ClN4O2/c19-16-6-4-5-15(13-16)14-22-9-11-23(12-10-22)17(24)7-2-1-3-8-21-18(20)25/h4-6,13H,1-3,7-12,14H2,(H3,20,21,25)/p+1