N-cyclohexyl-N-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanamide Openeye Name: N-cyclohexyl-N-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]acetamide CAS Name: N-cyclohexyl-N-methyl-2-[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-(2-pyrimidinyl)phenoxy]acetamide IUPAC Name: N-cyclohexyl-N-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide Traditional Name: N-cyclohexyl-N-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-pyrimidyl)phenoxy]acetamide Formula: C30H38N5O2+ MolecularWeight: 500.65502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC2=C(C=C(C=C2)C3=NC=CC=N3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC2=C(C=C(C=C2)C3=NC=CC=N3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H37N5O2/c1-33(26-9-4-2-5-10-26)29(36)23-37-28-14-13-24(30-31-15-8-16-32-30)21-25(28)22-34-17-19-35(20-18-34)27-11-6-3-7-12-27/h3,6-8,11-16,21,26H,2,4-5,9-10,17-20,22-23H2,1H3/p+1