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

Systemtic Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-cyclopropyl-N-p-anisyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O2/c1-28-19-7-3-17(4-8-19)15-26(18-5-6-18)20(27)16-24-11-13-25(14-12-24)21-22-9-2-10-23-21/h2-4,7-10,18H,5-6,11-16H2,1H3/p+1