methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-ammonium Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-17(2)19-7-5-18(6-8-19)15-24(3)16-20(27)25-11-13-26(14-12-25)21-22-9-4-10-23-21/h4-10,17H,11-16H2,1-3H3/p+1