N-(4-tert-butylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-20(2,3)15-4-6-16(7-5-15)22-19(26)24-12-10-23(11-13-24)18-9-8-17(14-21-18)25(27)28/h4-9,14H,10-13H2,1-3H3,(H,22,26)/p+1