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

Systemtic Name: 4-methyl-6-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-1-yl]-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 2-isopropyl-4-methyl-6-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-1-yl]pyrimidin-1-ium CAS Name: 4-methyl-6-[4-[(1R)-1-(3-nitrophenyl)ethyl]-1-piperazinyl]-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 4-methyl-6-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-1-yl]-2-propan-2-ylpyrimidin-1-ium Traditional Name: 2-isopropyl-4-methyl-6-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazino]pyrimidin-1-ium Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2/c1-14(2)20-21-15(3)12-19(22-20)24-10-8-23(9-11-24)16(4)17-6-5-7-18(13-17)25(26)27/h5-7,12-14,16H,8-11H2,1-4H3/p+1/t16-/m1/s1