N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-N-phenyl-2-[4-(5-propyl-2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-N-phenyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C25H36N5O+ MolecularWeight: 422.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CC[NH+](CC2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CC[NH+](CC2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H35N5O/c1-2-9-21-18-26-25(27-19-21)29-16-14-28(15-17-29)20-24(31)30(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3,5-6,10-11,18-19,23H,2,4,7-9,12-17,20H2,1H3/p+1