4-methyl-6-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-propan-2-yl-pyrimidin-1-ium

Systemtic Name: 4-methyl-6-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 2-isopropyl-4-methyl-6-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidin-1-ium CAS Name: 4-methyl-6-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 4-methyl-6-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-propan-2-ylpyrimidin-1-ium Traditional Name: 2-isopropyl-4-methyl-6-[4-(3-nitrobenzyl)piperazino]pyrimidin-1-ium Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O2/c1-14(2)19-20-15(3)11-18(21-19)23-9-7-22(8-10-23)13-16-5-4-6-17(12-16)24(25)26/h4-6,11-12,14H,7-10,13H2,1-3H3/p+1