4-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)piperazin-4-ium-1-carboxamide Formula: C20H26ClN4O+ MolecularWeight: 373.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[N+]2(CCN(CC2)C(=O)N)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[N+]2(CCN(CC2)C(=O)N)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)25(18-17(21)5-4-10-23-18)13-11-24(12-14-25)19(22)26/h4-10H,11-14H2,1-3H3,(H-,22,26)/p+1