N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O2/c1-31-21-10-8-20(9-11-21)23(19-6-3-2-4-7-19)27-22(30)18-28-14-16-29(17-15-28)24-25-12-5-13-26-24/h2-13,23H,14-18H2,1H3,(H,27,30)/p+1/t23-/m0/s1