1-(5-nitropyridin-2-yl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-nitropyridin-2-yl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-(5-nitro-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-nitropyridin-2-yl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-isopropylbenzyl)-4-(5-nitro-2-pyridyl)piperazin-1-ium Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O2/c1-15(2)17-5-3-16(4-6-17)14-21-9-11-22(12-10-21)19-8-7-18(13-20-19)23(24)25/h3-8,13,15H,9-12,14H2,1-2H3/p+1