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

Systemtic Name: N-(4-tert-butylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O/c1-20(2,3)16-7-9-17(10-8-16)22-19(25)24-14-12-23(13-15-24)18-6-4-5-11-21-18/h4-11H,12-15H2,1-3H3,(H,22,25)/p+1