cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: cyclopropyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-p-anisyl-ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4CC4

InChI

InChI=1S/C21H27N5O2/c1-28-19-7-3-17(4-8-19)15-26(18-5-6-18)16-20(27)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