1-cyclohexyl-3-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]urea

Systemtic Name: 1-cyclohexyl-3-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]urea Openeye Name: 1-cyclohexyl-3-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]urea CAS Name: 1-cyclohexyl-3-[(2S)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]urea IUPAC Name: 1-cyclohexyl-3-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]urea Traditional Name: 1-cyclohexyl-3-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]urea Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)NC2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)NC2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H34N4O2/c1-24-12-14-25(15-13-24)20(17-8-10-19(27-2)11-9-17)16-22-21(26)23-18-6-4-3-5-7-18/h8-11,18,20H,3-7,12-16H2,1-2H3,(H2,22,23,26)/p+1/t20-/m1/s1