1-cyclohexyl-3-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-cyclohexyl-3-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-cyclohexyl-3-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]urea CAS Name: 1-cyclohexyl-3-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]urea IUPAC Name: 1-cyclohexyl-3-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]urea Traditional Name: 1-cyclohexyl-3-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-keto-propyl]urea Formula: C22H34FN4O3+ MolecularWeight: 421.528763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)NC3CCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)NC3CCCCC3)F

InChI

InChI=1S/C22H33FN4O3/c1-30-20-8-7-17(15-19(20)23)16-26-11-13-27(14-12-26)21(28)9-10-24-22(29)25-18-5-3-2-4-6-18/h7-8,15,18H,2-6,9-14,16H2,1H3,(H2,24,25,29)/p+1