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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](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