(4-tert-butylphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O/c1-22(2,3)19-9-7-18(8-10-19)21(26)25-16-14-24(15-17-25)13-11-20-6-4-5-12-23-20/h4-10,12H,11,13-17H2,1-3H3/p+1